hexadecyl-(1-hydroxyethyl)-dimethyl-azanium; propanoate

Systemtic Name: hexadecyl-(1-hydroxyethyl)-dimethyl-azanium; propanoate Openeye Name: hexadecyl-(1-hydroxyethyl)-dimethyl-ammonium; propanoate CAS Name: hexadecyl-(1-hydroxyethyl)-dimethylammonium; propanoate IUPAC Name: hexadecyl-(1-hydroxyethyl)-dimethylazanium; propanoate Traditional Name: cetyl-(1-hydroxyethyl)-dimethyl-ammonium; propionate Formula: C23H49NO3 MolecularWeight: 387.64006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H44NO.C3H6O2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-21(3,4)20(2)22;1-2-3(4)5/h20,22H,5-19H2,1-4H3;2H2,1H3,(H,4,5)/q+1;/p-1