(3-methyl-4,5-dihydroimidazol-3-ium-1-yl)methyl hexadecanoate

Systemtic Name: (3-methyl-4,5-dihydroimidazol-3-ium-1-yl)methyl hexadecanoate Openeye Name: (3-methyl-4,5-dihydroimidazol-3-ium-1-yl)methyl hexadecanoate CAS Name: hexadecanoic acid (3-methyl-4,5-dihydroimidazol-3-ium-1-yl)methyl ester IUPAC Name: (3-methyl-4,5-dihydroimidazol-3-ium-1-yl)methyl hexadecanoate Traditional Name: palmitic acid (3-methyl-2-imidazolin-3-ium-1-yl)methyl ester Formula: C21H41N2O2+ MolecularWeight: 353.56244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OCN1CC[N+](=C1)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OCN1CC[N+](=C1)C

InChI

InChI=1S/C21H41N2O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21(24)25-20-23-18-17-22(2)19-23/h19H,3-18,20H2,1-2H3/q+1