2-[(hexadecanoylamino)methyl-dimethyl-azaniumyl]ethanoate

Systemtic Name: 2-[(hexadecanoylamino)methyl-dimethyl-azaniumyl]ethanoate Openeye Name: 2-[(hexadecanoylamino)methyl-dimethyl-ammonio]acetate CAS Name: 2-[dimethyl-[(1-oxohexadecylamino)methyl]ammonio]acetate IUPAC Name: 2-[(hexadecanoylamino)methyl-dimethylazaniumyl]acetate Traditional Name: 2-[dimethyl(palmitamidomethyl)ammonio]acetate Formula: C21H42N2O3 MolecularWeight: 370.56978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H42N2O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20(24)22-19-23(2,3)18-21(25)26/h4-19H2,1-3H3,(H-,22,24,25,26)