dihexadecyl 1-methylpyridin-1-ium-3,5-dicarboxylate chloride

Systemtic Name: dihexadecyl 1-methylpyridin-1-ium-3,5-dicarboxylate chloride Openeye Name: dihexadecyl 1-methylpyridin-1-ium-3,5-dicarboxylate chloride CAS Name: 1-methylpyridin-1-ium-3,5-dicarboxylic acid dihexadecyl ester chloride IUPAC Name: dihexadecyl 1-methylpyridin-1-ium-3,5-dicarboxylate chloride Traditional Name: 1-methylpyridin-1-ium-3,5-dicarboxylic acid dicetyl ester chloride Formula: C40H72ClNO4 MolecularWeight: 666.45698

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C[N+](=C1)C)C(=O)OCCCCCCCCCCCCCCCC.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=CC(=C[N+](=C1)C)C(=O)OCCCCCCCCCCCCCCCC.[Cl-]

InChI

InChI=1S/C40H72NO4.ClH/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-30-32-44-39(42)37-34-38(36-41(3)35-37)40(43)45-33-31-29-27-25-23-21-19-17-15-13-11-9-7-5-2;/h34-36H,4-33H2,1-3H3;1H/q+1;/p-1