<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">101115</id>
  <title nil="true"/>
  <common-name>1-Benzyl-2-henicosyl-4,5-dihydro-1-(2-hydroxyethyl)-1H-imidazolium chloride</common-name>
  <description nil="true"/>
  <cas nil="true"/>
  <pubchem-id>44150485</pubchem-id>
  <chemical-formula>C33H59N2O</chemical-formula>
  <weight nil="true"/>
  <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">2026-04-05T08:20:27Z</created-at>
  <updated-at type="dateTime">2026-04-05T08:20:27Z</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>[Cl-].CCCCCCCCCCCCCCCCCCCCCC1=NCC[N+]1(CCO)CC1=CC=CC=C1</moldb-smiles>
  <moldb-formula>C33H59N2O</moldb-formula>
  <moldb-inchi>InChI=1/C33H59N2O.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-26-33-34-27-28-35(33,29-30-36)31-32-24-21-20-22-25-32;/h20-22,24-25,36H,2-19,23,26-31H2,1H3;1H/q+1;/p-1</moldb-inchi>
  <moldb-inchikey>YVEGUVHIATZFPU-UHFFFAOYSA-M</moldb-inchikey>
  <moldb-average-mass type="decimal">535.3</moldb-average-mass>
  <moldb-mono-mass type="decimal">499.4627395</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp nil="true"/>
  <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>CHEM097008</chemdb-id>
  <dsstox-id>DTXSID60916451</dsstox-id>
  <toxcast-id nil="true"/>
  <stoff-ident-origin nil="true"/>
  <stoff-ident-id nil="true"/>
  <susdat-id>NS00064277</susdat-id>
  <iupac nil="true"/>
  <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"/>
</compound>
