<?xml version="1.0" encoding="UTF-8"?>
<compound>
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  <common-name>2-[2-[diethyl(pentyl)azaniumyl]ethoxy]ethyl-dimethyl-pentylazanium</common-name>
  <description nil="true"/>
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  <pubchem-id>45742</pubchem-id>
  <chemical-formula>C20H46N2O+2</chemical-formula>
  <weight>330.6</weight>
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  <density nil="true"/>
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  <route-of-exposure nil="true"/>
  <target nil="true"/>
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  <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">2026-08-30T02:45:53Z</created-at>
  <updated-at type="dateTime">2026-08-30T02:45:53Z</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>CCCCC[N+](C)(C)CCOCC[N+](CC)(CC)CCCCC</moldb-smiles>
  <moldb-formula>C20H46N2O+2</moldb-formula>
  <moldb-inchi>InChI=1S/C20H46N2O/c1-7-11-13-15-21(5,6)17-19-23-20-18-22(9-3,10-4)16-14-12-8-2/h7-20H2,1-6H3/q+2</moldb-inchi>
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  <state nil="true"/>
  <logp>4.5</logp>
  <hmdb-id nil="true"/>
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  <structure-image-updated-at type="dateTime" nil="true"/>
  <biodb-id nil="true"/>
  <synthesis-reference nil="true"/>
  <structure-image-caption nil="true"/>
  <chemdb-id>CHEM321009</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>2-[2-[diethyl(pentyl)azaniumyl]ethoxy]ethyl-dimethyl-pentylazanium</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>Organic nitrogen compounds</superklass>
  <klass>Organonitrogen compounds</klass>
  <subklass>Quaternary ammonium salts</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0275759</sync-id>
  <structure-inchikey>XGFBRECXNSUDTH-UHFFFAOYSA-N</structure-inchikey>
  <structure-fingerprint>40000020000000000800000000c00000000000000000000000000100000000000000002000000000000000000000000000002100000000000000000000000000000000000000000010000000008004000000000001100000000000000000020000020000000010000000000000000002040000000000000000000000000000000000040000000000000000000000000000000000000000000000000000000000000008000000000000000000000000000000008000000000000000000040000000000000000000000000000000000000000000000000000000000000000000000000000000000000001000000010000000000000000000080000000000000</structure-fingerprint>
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  <structure-pickle>ï¾­Þ������������������������€���`�������`�������`�������`�������`������ "�������`�������`�������`�������`������� ������`�������`������ "�������`�������`�������`�������`�������`�������`�������`�������`�������`�������������������������������	�	
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  <structure-indexed-at type="dateTime">2026-09-19T05:29:06Z</structure-indexed-at>
</compound>
