hexyl(trimethyl)azanium; (E)-octadec-9-enoate

Systemtic Name: hexyl(trimethyl)azanium; (E)-octadec-9-enoate Openeye Name: hexyl(trimethyl)ammonium; (E)-octadec-9-enoate CAS Name: hexyl(trimethyl)ammonium; (E)-9-octadecenoate IUPAC Name: hexyl(trimethyl)azanium; (E)-octadec-9-enoate Traditional Name: hexyl(trimethyl)ammonium; (E)-octadec-9-enoate Formula: C27H55NO2 MolecularWeight: 425.7311

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC=CCCCCCCCC(=O)[O-].CCCCCC[N+](C)(C)C

Isomeric SMILES

CCCCCCCC/C=C/CCCCCCCC(=O)[O-].CCCCCC[N+](C)(C)C

InChI

InChI=1S/C18H34O2.C9H22N/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20;1-5-6-7-8-9-10(2,3)4/h9-10H,2-8,11-17H2,1H3,(H,19,20);5-9H2,1-4H3/q;+1/p-1/b10-9+;