2-[carboxylato(dimethyl)azaniumyl]hexadecanoate; 1-hexadecylpyridin-1-ium

Systemtic Name: 2-[carboxylato(dimethyl)azaniumyl]hexadecanoate; 1-hexadecylpyridin-1-ium Openeye Name: 2-[carboxylato(dimethyl)ammonio]hexadecanoate; 1-hexadecylpyridin-1-ium CAS Name: 2-[carboxylato(dimethyl)ammonio]hexadecanoate; 1-hexadecylpyridin-1-ium IUPAC Name: 2-[carboxylato(dimethyl)azaniumyl]hexadecanoate; 1-hexadecylpyridin-1-ium Traditional Name: 2-[carboxylato(dimethyl)ammonio]palmitate; 1-cetylpyridin-1-ium Formula: C40H74N2O4 MolecularWeight: 647.02656

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCCCC(C(=O)[O-])[N+](C)(C)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+]1=CC=CC=C1.CCCCCCCCCCCCCCC(C(=O)[O-])[N+](C)(C)C(=O)[O-]

InChI

InChI=1S/C21H38N.C19H37NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-16-19-22-20-17-15-18-21-22;1-4-5-6-7-8-9-10-11-12-13-14-15-16-17(18(21)22)20(2,3)19(23)24/h15,17-18,20-21H,2-14,16,19H2,1H3;17H,4-16H2,1-3H3,(H-,21,22,23,24)/q+1;/p-1