(1-methylquinolin-1-ium-8-yl) hexadecanoate

Systemtic Name: (1-methylquinolin-1-ium-8-yl) hexadecanoate Openeye Name: (1-methylquinolin-1-ium-8-yl) hexadecanoate CAS Name: hexadecanoic acid (1-methyl-8-quinolin-1-iumyl) ester IUPAC Name: (1-methylquinolin-1-ium-8-yl) hexadecanoate Traditional Name: palmitic acid (1-methylquinolin-1-ium-8-yl) ester Formula: C26H40NO2+ MolecularWeight: 398.6013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC1=CC=CC2=C1[N+](=CC=C2)C

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC1=CC=CC2=C1[N+](=CC=C2)C

InChI

InChI=1S/C26H40NO2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-21-25(28)29-24-20-16-18-23-19-17-22-27(2)26(23)24/h16-20,22H,3-15,21H2,1-2H3/q+1