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

Systemtic Name: (1-methylquinolin-1-ium-8-yl) hexadecanoate chloride Openeye Name: (1-methylquinolin-1-ium-8-yl) hexadecanoate chloride CAS Name: hexadecanoic acid (1-methyl-8-quinolin-1-iumyl) ester chloride IUPAC Name: (1-methylquinolin-1-ium-8-yl) hexadecanoate chloride Traditional Name: palmitic acid (1-methylquinolin-1-ium-8-yl) ester chloride Formula: C26H40ClNO2 MolecularWeight: 434.0543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H40NO2.ClH/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;1H/q+1;/p-1