dihexadecyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide

Systemtic Name: dihexadecyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide Openeye Name: dihexadecyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide CAS Name: 2,6-dimethyl-4-(1-methyl-3-pyridin-1-iumyl)-1,4-dihydropyridine-3,5-dicarboxylic acid dihexadecyl ester iodide IUPAC Name: dihexadecyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide Traditional Name: 2,6-dimethyl-4-(1-methylpyridin-1-ium-3-yl)-1,4-dihydropyridine-3,5-dicarboxylic acid dicetyl ester iodide Formula: C47H81IN2O4 MolecularWeight: 865.06151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=C[N+](=CC=C2)C)C(=O)OCCCCCCCCCCCCCCCC)C)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOC(=O)C1=C(NC(=C(C1C2=C[N+](=CC=C2)C)C(=O)OCCCCCCCCCCCCCCCC)C)C.[I-]

InChI

InChI=1S/C47H80N2O4.HI/c1-6-8-10-12-14-16-18-20-22-24-26-28-30-32-37-52-46(50)43-40(3)48-41(4)44(45(43)42-35-34-36-49(5)39-42)47(51)53-38-33-31-29-27-25-23-21-19-17-15-13-11-9-7-2;/h34-36,39,45H,6-33,37-38H2,1-5H3;1H