351063 <common-name>Benzyl-(1-hydroxyethyl)-(2-hydroxypropyl)-[(1e)-octadeca-1,17-dienyl]azanium</common-name> <description>Benzyl-(1-hydroxyethyl)-(2-hydroxypropyl)-[(1e)-octadeca-1,17-dienyl]azanium is a compound with the formula C30H52NO2+. It has an average molecular weight of 458.70 g/mol.</description> <cas nil="true"/> <pubchem-id>6437001</pubchem-id> <chemical-formula>C30H52NO2+</chemical-formula> <weight>458.7</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">2026-08-31T16:32:23Z</created-at> <updated-at type="dateTime">2026-08-31T16:32:23Z</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>CC(C[N+](CC1=CC=CC=C1)(C=CCCCCCCCCCCCCCCC=C)C(C)O)O</moldb-smiles> <moldb-formula>C30H52NO2+</moldb-formula> <moldb-inchi>InChI=1S/C30H52NO2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-25-31(29(3)33,26-28(2)32)27-30-23-20-19-21-24-30/h4,19-25,28-29,32-33H,1,5-18,26-27H2,2-3H3/q+1/b25-22+</moldb-inchi> <moldb-inchikey>XOXCYUOCFYCRSI-YYDJUVGSSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">458.3998049</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>9.6</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>CHEM346956</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>Benzyl-(1-hydroxyethyl)-(2-hydroxypropyl)-[(1e)-octadeca-1,17-dienyl]azanium</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>CED0301365</sync-id> <structure-inchikey>XOXCYUOCFYCRSI-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>40000001000004000000800000000000000000000000000000000000100000000000001000000000000000000000000004044002000000000000000010000000000000000000041000000000000000000008000000000200000000000000000001000000010000000000000000000000000040000008000000000800000000000000000040a000008000000000000100000000000001000000000000000000000000000000000000000802000a0000000000000080000000000000000000000000000000000000000000000000040000000000000000000000042220000000000000000000000000000040000000010000000000000000000004000020000004</structure-fingerprint> 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AgYAYAAAAAMBBgBgAAAAAQMIAGAAAAABAQgAYAAAAAEBCwABAAECAAIDAAME AAQFAAUGaAwGB2gMBwhoDAgJaAwJCmgMAwsACwwIAgwNAA0OAA4PAA8QABAR ABESABITABMUABQVABUWABYXABcYABgZABkaABobABscCAIDHQAdHgAdHwAB IAAKBWgMQgEAAAAGBQoJCAcGFwQAAAAAAAAAFg== </structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:49:00Z</structure-indexed-at> </compound>