<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">348820</id>
  <title nil="true"/>
  <common-name>9-[2-[3-[2-(3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethoxy]phenoxy]ethyl]-3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane</common-name>
  <description>9-[2-[3-[2-(3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethoxy]phenoxy]ethyl]-3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane is a compound with the formula C28H48N4O2+2. It has an average molecular weight of 472.70 g/mol.</description>
  <cas nil="true"/>
  <pubchem-id>27863</pubchem-id>
  <chemical-formula>C28H48N4O2+2</chemical-formula>
  <weight>472.7</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">2026-08-31T13:00:27Z</created-at>
  <updated-at type="dateTime">2026-08-31T13:00:27Z</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>CN1CC2CCCC(C1)[N+]2(C)CCOC3=CC(=CC=C3)OCC[N+]4(C5CCCC4CN(C5)C)C</moldb-smiles>
  <moldb-formula>C28H48N4O2+2</moldb-formula>
  <moldb-inchi>InChI=1S/C28H48N4O2/c1-29-19-23-8-5-9-24(20-29)31(23,3)14-16-33-27-12-7-13-28(18-27)34-17-15-32(4)25-10-6-11-26(32)22-30(2)21-25/h7,12-13,18,23-26H,5-6,8-11,14-17,19-22H2,1-4H3/q+2</moldb-inchi>
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  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">472.3777268</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>3.5</logp>
  <hmdb-id nil="true"/>
  <chembl-id nil="true"/>
  <chemspider-id nil="true"/>
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  <structure-image-content-type 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>CHEM344713</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>9-[2-[3-[2-(3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonan-9-yl)ethoxy]phenoxy]ethyl]-3,9-dimethyl-3-aza-9-azoniabicyclo[3.3.1]nonane</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>Phenol ethers</klass>
  <subklass nil="true"/>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0299148</sync-id>
  <structure-inchikey>VJLWLUHVXBPBAF-UHFFFAOYSA-N</structure-inchikey>
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  <structure-indexed-at type="dateTime">2026-09-19T05:47:04Z</structure-indexed-at>
</compound>
