<?xml version="1.0" encoding="UTF-8"?>
<compound>
  <id type="integer">356146</id>
  <title nil="true"/>
  <common-name>N-[2-(3-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide</common-name>
  <description>N-[2-(3-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide is a compound with the formula C42H84N3O+. With an average molecular weight of 647.10 g/mol, N-[2-(3-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide is a heavy molecule.</description>
  <cas nil="true"/>
  <pubchem-id>110037</pubchem-id>
  <chemical-formula>C42H84N3O+</chemical-formula>
  <weight>647.1</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">2026-09-01T01:22:21Z</created-at>
  <updated-at type="dateTime">2026-09-01T01:22:21Z</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>CCCCCCCCCCCCCCCCCC1=[N+](CCN1CC)CCNC(=O)CCCCCCCCCCCCCCCCC</moldb-smiles>
  <moldb-formula>C42H84N3O+</moldb-formula>
  <moldb-inchi>InChI=1S/C42H83N3O/c1-4-7-9-11-13-15-17-19-21-23-25-27-29-31-33-35-41(46)43-37-38-45-40-39-44(6-3)42(45)36-34-32-30-28-26-24-22-20-18-16-14-12-10-8-5-2/h4-40H2,1-3H3/p+1</moldb-inchi>
  <moldb-inchikey>MUJZQIKPTKQHTE-UHFFFAOYSA-O</moldb-inchikey>
  <moldb-average-mass type="decimal" nil="true"/>
  <moldb-mono-mass type="decimal">646.6614393</moldb-mono-mass>
  <origin nil="true"/>
  <state nil="true"/>
  <logp>15.8</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>CHEM352039</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>N-[2-(3-ethyl-2-heptadecyl-4,5-dihydroimidazol-1-ium-1-yl)ethyl]octadecanamide</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>Lipids and lipid-like molecules</superklass>
  <klass>Fatty Acyls</klass>
  <subklass>Fatty amides</subklass>
  <paper-count type="integer" nil="true"/>
  <sync-id>CED0306396</sync-id>
  <structure-inchikey>MUJZQIKPTKQHTE-UHFFFAOYSA-O</structure-inchikey>
  <structure-fingerprint>224000000000800000000000040000000008040004000000040000000000000002000000000000000000000000000000000000000001000000000000000000000000000000010400000000000020001000000000000001000000000000000020010000000000000000000000000000020100000000000000000000000400000040000800400000000000014080000000800000000000001000001000000000000000000000000000080000000000002008000000008000000008000000000008000004000000000000000000000000000000020000000080000000000000000000000000000000000000010400000000000000000000000000000040</structure-fingerprint>
  <structure-pattern-fingerprint>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</structure-pattern-fingerprint>
  <structure-pickle type="binary" encoding="base64">776t3gAAAAAQAAAAAwAAAAAAAAAuAAAALgAAAIABBgBgAAAAAQMGAGAAAAAC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</structure-pickle>
  <structure-indexed-at type="dateTime">2026-09-19T05:53:58Z</structure-indexed-at>
</compound>
