351042 <common-name>Dodecyl 2-[1-[(e)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate</common-name> <description>Dodecyl 2-[1-[(e)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate is a compound with the formula C30H50NO2+. It has an average molecular weight of 456.70 g/mol.</description> <cas nil="true"/> <pubchem-id>6446580</pubchem-id> <chemical-formula>C30H50NO2+</chemical-formula> <weight>456.7</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">2026-08-31T16:30:05Z</created-at> <updated-at type="dateTime">2026-08-31T16:30:05Z</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>CCCCCCCCCCCCOC(=O)C[N+]1(CCCCC1)CC=C(C)CC2=CC=CC=C2</moldb-smiles> <moldb-formula>C30H50NO2+</moldb-formula> <moldb-inchi>InChI=1S/C30H50NO2/c1-3-4-5-6-7-8-9-10-11-18-25-33-30(32)27-31(22-16-13-17-23-31)24-21-28(2)26-29-19-14-12-15-20-29/h12,14-15,19-21H,3-11,13,16-18,22-27H2,1-2H3/q+1/b28-21+</moldb-inchi> <moldb-inchikey>GHWVVUWISKSUDT-SGWCAAJKSA-N</moldb-inchikey> <moldb-average-mass type="decimal" nil="true"/> <moldb-mono-mass type="decimal">456.3841548</moldb-mono-mass> <origin nil="true"/> <state nil="true"/> <logp>9.7</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>CHEM346935</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>Dodecyl 2-[1-[(e)-3-methyl-4-phenylbut-2-enyl]piperidin-1-ium-1-yl]acetate</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 acids and derivatives</superklass> <klass>Carboxylic acids and derivatives</klass> <subklass>Amino acids, peptides, and analogues</subklass> <paper-count type="integer" nil="true"/> <sync-id>CED0301344</sync-id> <structure-inchikey>GHWVVUWISKSUDT-UHFFFAOYSA-N</structure-inchikey> <structure-fingerprint>200400000000000000008000000000000000100000000000000000000000000000000000020000000400000000000000040000000020000000400001000000000000000000000000000110000004002000a0000000000300400000000000000000000020010000000000100000000000000040020000000000000000000000400820000040200000800000000000010000000000000100000000000040000000000000000000000000000000082000000000000008000000000000000000200000000000000000010000000200000000000000000000200002002220000000000000000040000000000040100000010400000000000000000000000000000000</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�B���������������� �����������</structure-pickle> <structure-indexed-at type="dateTime">2026-09-19T05:48:59Z</structure-indexed-at> </compound>