4-(dimethylamino)-3-oxidanylidene-2-(trimethylazaniumyl)hexadecanoate

Systemtic Name: 4-(dimethylamino)-3-oxidanylidene-2-(trimethylazaniumyl)hexadecanoate Openeye Name: 4-(dimethylamino)-3-oxo-2-(trimethylammonio)hexadecanoate CAS Name: 4-(dimethylamino)-3-oxo-2-(trimethylammonio)hexadecanoate IUPAC Name: 4-(dimethylamino)-3-oxo-2-(trimethylazaniumyl)hexadecanoate Traditional Name: 4-(dimethylamino)-3-keto-2-(trimethylammonio)palmitate Formula: C21H42N2O3 MolecularWeight: 370.56978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(C(=O)C(C(=O)[O-])[N+](C)(C)C)N(C)C

Isomeric SMILES

CCCCCCCCCCCCC(C(=O)C(C(=O)[O-])[N+](C)(C)C)N(C)C

InChI

InChI=1S/C21H42N2O3/c1-7-8-9-10-11-12-13-14-15-16-17-18(22(2)3)20(24)19(21(25)26)23(4,5)6/h18-19H,7-17H2,1-6H3