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

Systemtic Name: diethyl (4S)-2,6-dimethyl-4-(1-methylpyridin-1-ium-4-yl)-3,4-dihydropyridine-3,5-dicarboxylate Openeye Name: diethyl (4S)-2,6-dimethyl-4-(1-methylpyridin-1-ium-4-yl)-3,4-dihydropyridine-3,5-dicarboxylate CAS Name: (4S)-2,6-dimethyl-4-(1-methyl-4-pyridin-1-iumyl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester IUPAC Name: diethyl (4S)-2,6-dimethyl-4-(1-methylpyridin-1-ium-4-yl)-3,4-dihydropyridine-3,5-dicarboxylate Traditional Name: (4S)-2,6-dimethyl-4-(1-methylpyridin-1-ium-4-yl)-3,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester Formula: C19H25N2O4+ MolecularWeight: 345.4128

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1C(C(=C(N=C1C)C)C(=O)OCC)C2=CC=[N+](C=C2)C

Isomeric SMILES

CCOC(=O)C1[C@H](C(=C(N=C1C)C)C(=O)OCC)C2=CC=[N+](C=C2)C

InChI

InChI=1S/C19H25N2O4/c1-6-24-18(22)15-12(3)20-13(4)16(19(23)25-7-2)17(15)14-8-10-21(5)11-9-14/h8-11,15,17H,6-7H2,1-5H3/q+1/t15?,17-/m1/s1