diethyl 2-methyl-4-phenyl-6-(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate iodide

Systemtic Name: diethyl 2-methyl-4-phenyl-6-(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate iodide Openeye Name: diethyl 2-methyl-4-phenyl-6-(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate iodide CAS Name: 2-methyl-4-phenyl-6-(1-pyridin-1-iumylmethyl)-1,4-dihydropyridine-3,5-dicarboxylic acid diethyl ester iodide IUPAC Name: diethyl 2-methyl-4-phenyl-6-(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-3,5-dicarboxylate iodide Traditional Name: 2-methyl-4-phenyl-6-(pyridin-1-ium-1-ylmethyl)-1,4-dihydropyridine-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(NC(=C(C1C2=CC=CC=C2)C(=O)OCC)C[N+]3=CC=CC=C3)C.[I-]

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2)C(=O)OCC)C[N+]3=CC=CC=C3)C.[I-]

InChI

InChI=1S/C24H26N2O4.HI/c1-4-29-23(27)20-17(3)25-19(16-26-14-10-7-11-15-26)22(24(28)30-5-2)21(20)18-12-8-6-9-13-18;/h6-15,21H,4-5,16H2,1-3H3;1H