3-[hexadecyl(dimethyl)azaniumyl]butanoate

Systemtic Name: 3-[hexadecyl(dimethyl)azaniumyl]butanoate Openeye Name: 3-[hexadecyl(dimethyl)ammonio]butanoate CAS Name: 3-[hexadecyl(dimethyl)ammonio]butanoate IUPAC Name: 3-[hexadecyl(dimethyl)azaniumyl]butanoate Traditional Name: 3-[cetyl(dimethyl)ammonio]butyrate Formula: C22H45NO2 MolecularWeight: 355.5982

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)C(C)CC(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)C(C)CC(=O)[O-]

InChI

InChI=1S/C22H45NO2/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23(3,4)21(2)20-22(24)25/h21H,5-20H2,1-4H3