diethyl 2-methyl-6-[(3-methylimidazol-3-ium-1-yl)methyl]-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Systemtic Name: diethyl 2-methyl-6-[(3-methylimidazol-3-ium-1-yl)methyl]-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl 2-methyl-6-[(3-methylimidazol-3-ium-1-yl)methyl]-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate CAS Name: 2-methyl-6-[(3-methyl-1-imidazol-3-iumyl)methyl]-4-[2-(methylthio)phenyl]-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl 2-methyl-6-[(3-methylimidazol-3-ium-1-yl)methyl]-4-(2-methylsulfanylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate Traditional Name: 2-methyl-6-[(3-methylimidazol-3-ium-1-yl)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)CN3C=C[N+](=C3)C)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2SC)C(=O)OCC)CN3C=C[N+](=C3)C)C

InChI

InChI=1S/C24H29N3O4S/c1-6-30-23(28)20-16(3)25-18(14-27-13-12-26(4)15-27)22(24(29)31-7-2)21(20)17-10-8-9-11-19(17)32-5/h8-13,15,21H,6-7,14H2,1-5H3/p+1