303216 <common-name>[3-[bis(prop-2-enyl)carbamoyloxy]phenyl]-trimethylazanium</common-name> <description>[3-[bis(prop-2-enyl)carbamoyloxy]phenyl]-trimethylazanium belongs to the phenoxy compounds, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid compound has the formula C16H23N2O2+ and an average molecular weight of 275.37 g/mol.</description> <cas nil="true"/> <pubchem-id>47064</pubchem-id> <chemical-formula>C16H23N2O2+</chemical-formula> <weight>275.37</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">2026-08-28T20:25:20Z</created-at> <updated-at type="dateTime">2026-08-28T20:25:20Z</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>C[N+](C)(C)C1=CC(=CC=C1)OC(=O)N(CC=C)CC=C</moldb-smiles> <moldb-formula>C16H23N2O2+</moldb-formula> <moldb-inchi>InChI=1S/C16H23N2O2/c1-6-11-17(12-7-2)16(19)20-15-10-8-9-14(13-15)18(3,4)5/h6-10,13H,1-2,11-12H2,3-5H3/q+1</moldb-inchi> <moldb-inchikey>ZYERYCWLVPCOEK-UHFFFAOYSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">275.175953</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>2.9</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>CHEM299109</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>[3-[bis(prop-2-enyl)carbamoyloxy]phenyl]-trimethylazanium</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>Benzene and substituted derivatives</klass> <subklass>Phenoxy compounds</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0254418</sync-id> <structure-inchikey>ZYERYCWLVPCOEK-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>8000000008000000000000000000000000000000000000000000000000002000000000000000000000020000000000000000000000200000000000102000000000100000080000300000000003000000000000000000000c000001000000000000000010400000000000000800000000a000000000000001008040000000800000200000000000000000001000000000000000010000000000000000400000000200080000000000000000000000000000000000000000000000000000000000000000040000000000000000000040000200010000000000000000000000000040000000000400000000000000000000000000000000</structure-fingerprint> <structure-pattern-fingerprint>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</structure-pattern-fingerprint> <structure-pickle>ï¾­Þ������������������������€���`������ "�������`�������`������@(������@h�������@(������@h�������@h�������@h��������(�������(�������(�������(�������`�������h��������h��������`�������h��������h���������������������h���h���h���h�� h�� � ��(�� ��������� ��������� �h�B������ ��������������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:12:32Z</structure-indexed-at> </compound>