pyridin-1-ium-1-ylmethyl octadecanoate chloride

Systemtic Name: pyridin-1-ium-1-ylmethyl octadecanoate chloride Openeye Name: pyridin-1-ium-1-ylmethyl octadecanoate chloride CAS Name: octadecanoic acid 1-pyridin-1-iumylmethyl ester chloride IUPAC Name: pyridin-1-ium-1-ylmethyl octadecanoate chloride Traditional Name: stearic acid pyridin-1-ium-1-ylmethyl ester chloride Formula: C24H42ClNO2 MolecularWeight: 412.04878

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H42NO2.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-24(26)27-23-25-21-18-16-19-22-25;/h16,18-19,21-22H,2-15,17,20,23H2,1H3;1H/q+1;/p-1