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

Systemtic Name: hexadecyl(trimethyl)azanium; (E)-octadec-9-enoate Openeye Name: hexadecyl(trimethyl)ammonium; (E)-octadec-9-enoate CAS Name: hexadecyl(trimethyl)ammonium; (E)-9-octadecenoate IUPAC Name: hexadecyl(trimethyl)azanium; (E)-octadec-9-enoate Traditional Name: cetyl(trimethyl)ammonium; (E)-octadec-9-enoate Formula: C37H75NO2 MolecularWeight: 565.9969

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H42N.C18H34O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(2,3)4;1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h5-19H2,1-4H3;9-10H,2-8,11-17H2,1H3,(H,19,20)/q+1;/p-1/b;10-9+