<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">337382</id>
  <title nil="true"/>
  <common-name>3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-methyl-dipropylazanium</common-name>
  <description>3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-methyl-dipropylazanium is a compound with the formula C23H34NO2+. It has an average molecular weight of 356.50 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>202599</pubchem-id>
  <chemical-formula>C23H34NO2+</chemical-formula>
  <weight>356.5</weight>
  <appearance nil="true"/>
  <melting-point nil="true"/>
  <boiling-point nil="true"/>
  <density nil="true"/>
  <solubility nil="true"/>
  <specific-gravity nil="true"/>
  <flash-point nil="true"/>
  <vapour-pressure nil="true"/>
  <route-of-exposure nil="true"/>
  <target nil="true"/>
  <mechanism-of-toxicity nil="true"/>
  <metabolism nil="true"/>
  <toxicity nil="true"/>
  <lethaldose nil="true"/>
  <carcinogenicity nil="true"/>
  <use-source nil="true"/>
  <min-risk-level nil="true"/>
  <health-effects nil="true"/>
  <symptoms nil="true"/>
  <treatment nil="true"/>
  <created-at type="dateTime">2026-08-30T20:12:03Z</created-at>
  <updated-at type="dateTime">2026-08-30T20:12:03Z</updated-at>
  <interacting-proteins nil="true"/>
  <wikipedia nil="true"/>
  <uniprot-id nil="true"/>
  <kegg-compound-id nil="true"/>
  <omim-id nil="true"/>
  <chebi-id nil="true"/>
  <biocyc-id nil="true"/>
  <ctd-id nil="true"/>
  <stitch-id nil="true"/>
  <drugbank-id nil="true"/>
  <pdb-id nil="true"/>
  <actor-id nil="true"/>
  <organism nil="true"/>
  <export type="boolean">true</export>
  <metabolizing-proteins nil="true"/>
  <transporting-proteins nil="true"/>
  <moldb-smiles>CCC[N+](C)(CCC)CCCOC1=CC=CC=C1C(C2=CC=CC=C2)O</moldb-smiles>
  <moldb-formula>C23H34NO2+</moldb-formula>
  <moldb-inchi>InChI=1S/C23H34NO2/c1-4-16-24(3,17-5-2)18-11-19-26-22-15-10-9-14-21(22)23(25)20-12-7-6-8-13-20/h6-10,12-15,23,25H,4-5,11,16-19H2,1-3H3/q+1</moldb-inchi>
  <moldb-inchikey>ZEIQYFLTVWKQIP-UHFFFAOYSA-N</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">356.2589543</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>4.9</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
  <structure-image-file-name nil="true"/>
  <structure-image-content-type nil="true"/>
  <structure-image-file-size type="integer" nil="true"/>
  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM333275</chemdb-id>
  <dsstox-id nil="true"/>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id nil="true"/>
  <iupac>3-[2-[hydroxy(phenyl)methyl]phenoxy]propyl-methyl-dipropylazanium</iupac>
  <moldb-polar-surface-area nil="true"/>
  <moldb-refractivity nil="true"/>
  <moldb-polarizability nil="true"/>
  <moldb-rotatable-bond-count nil="true"/>
  <moldb-acceptor-count nil="true"/>
  <moldb-donor-count nil="true"/>
  <moldb-pka-strongest-acidic nil="true"/>
  <moldb-pka-strongest-basic nil="true"/>
  <moldb-physiological-charge nil="true"/>
  <moldb-number-of-rings nil="true"/>
  <moldb-alogps-logp nil="true"/>
  <moldb-alogps-logs nil="true"/>
  <moldb-alogps-solubility nil="true"/>
  <kingdom>Organic compounds</kingdom>
  <superklass>Benzenoids</superklass>
  <klass>Benzene and substituted derivatives</klass>
  <subklass>Diphenylmethanes</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0287822</sync-id>
  <structure-inchikey>ZEIQYFLTVWKQIP-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>4004000000000000000080000000000000000000000000000000000010040000000000000200000000000000000000000600000200000000000000020000000000000000000000000400000000000c000000000000000100000000000000000000000020010000000008a00000000000000040000000200000000000000000000000000040000000800002000000000001000000000100000000000000000000000000000000000000000400080000002000000000080000000000000002000000000000000400000000000000000000000020000000000000000200000000000000000000000000000040000000210000000000000020000000000000000000</structure-fingerprint>
  <structure-pattern-fingerprint>501000000132824081000940012820000000140001052000003500408200080c44020050108000000000410800800000046100a5608c32010020643000a04000c6110c000280060000901000007202000004058051011b3240000622400041000c2005270048820040000400d5340001200080500101e0041118000002510002504000080ef0820808060240082c0008191c0812440014820000080000400080004310001010c00000000868017c25100ac00000894108401000021008c00210801000a404800032018000003401028000000000020050000d0000000800020010004a10088100000000000350122004001020308042000e0000010052000002</structure-pattern-fingerprint>
  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`������ "�������`�������`�������`�������`�������`�������`�������`�������(������@(������@h�������@h�������@h�������@h�������@(�������`������@(������@h�������@h�������@h�������@h�������@h��������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:38:31Z</structure-indexed-at>
</compound>
