diethyl 2-(1,4-dihydropyridin-2-yl)-1,6-dimethyl-4-phenyl-pyridin-1-ium-3,5-dicarboxylate iodide

Systemtic Name: diethyl 2-(1,4-dihydropyridin-2-yl)-1,6-dimethyl-4-phenyl-pyridin-1-ium-3,5-dicarboxylate iodide Openeye Name: diethyl 2-(1,4-dihydropyridin-2-yl)-1,6-dimethyl-4-phenyl-pyridin-1-ium-3,5-dicarboxylate iodide CAS Name: 2-(1,4-dihydropyridin-2-yl)-1,6-dimethyl-4-phenylpyridin-1-ium-3,5-dicarboxylic acid diethyl ester iodide IUPAC Name: diethyl 2-(1,4-dihydropyridin-2-yl)-1,6-dimethyl-4-phenylpyridin-1-ium-3,5-dicarboxylate iodide Traditional Name: 2-(1,4-dihydropyridin-2-yl)-1,6-dimethyl-4-phenyl-pyridin-1-ium-3,5-dicarboxylic acid diethyl ester iodide Formula: C24H27IN2O4 MolecularWeight: 534.38665

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([N+](=C(C(=C1C2=CC=CC=C2)C(=O)OCC)C3=CCC=CN3)C)C.[I-]

Isomeric SMILES

CCOC(=O)C1=C([N+](=C(C(=C1C2=CC=CC=C2)C(=O)OCC)C3=CCC=CN3)C)C.[I-]

InChI

InChI=1S/C24H27N2O4.HI/c1-5-29-23(27)19-16(3)26(4)22(18-14-10-11-15-25-18)21(24(28)30-6-2)20(19)17-12-8-7-9-13-17;/h7-9,11-15,25H,5-6,10H2,1-4H3;1H/q+1;/p-1