1-pyridin-1-ium-1-ylethyl hexadecanoate chloride

Systemtic Name: 1-pyridin-1-ium-1-ylethyl hexadecanoate chloride Openeye Name: 1-pyridin-1-ium-1-ylethyl hexadecanoate chloride CAS Name: hexadecanoic acid 1-(1-pyridin-1-iumyl)ethyl ester chloride IUPAC Name: 1-pyridin-1-ium-1-ylethyl hexadecanoate chloride Traditional Name: palmitic acid 1-pyridin-1-ium-1-ylethyl ester chloride Formula: C23H40ClNO2 MolecularWeight: 398.0222

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)OC(C)[N+]1=CC=CC=C1.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)OC(C)[N+]1=CC=CC=C1.[Cl-]

InChI

InChI=1S/C23H40NO2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-16-19-23(25)26-22(2)24-20-17-15-18-21-24;/h15,17-18,20-22H,3-14,16,19H2,1-2H3;1H/q+1;/p-1