diethyl 2-(2,3-dimethyl-1H-imidazol-3-ium-4-yl)-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-(2,3-dimethyl-1H-imidazol-3-ium-4-yl)-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-(2,3-dimethyl-1H-imidazol-3-ium-4-yl)-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-(2,3-dimethyl-1H-imidazol-3-ium-4-yl)-6-methyl-4-[2-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-(2,3-dimethyl-1H-imidazol-3-ium-4-yl)-6-methyl-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-(2,3-dimethyl-1H-imidazol-3-ium-4-yl)-6-methyl-4-[2-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C24H30N3O4S+ MolecularWeight: 456.5777

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2SC)C(=O)OCC)C3=CNC(=[N+]3C)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2SC)C(=O)OCC)C3=CNC(=[N+]3C)C)C

InChI

InChI=1S/C24H29N3O4S/c1-7-30-23(28)19-14(3)26-22(17-13-25-15(4)27(17)5)21(24(29)31-8-2)20(19)16-11-9-10-12-18(16)32-6/h9-13,20H,7-8H2,1-6H3,(H,26,28,29)/p+1