diethyl 1,2,6-trimethyl-4-pyridin-4-yl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate iodide

Systemtic Name: diethyl 1,2,6-trimethyl-4-pyridin-4-yl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate iodide Openeye Name: diethyl 1,2,6-trimethyl-4-(4-pyridyl)-1,4-dihydropyridin-1-ium-3,5-dicarboxylate iodide CAS Name: 1,2,6-trimethyl-4-pyridin-4-yl-1,4-dihydropyridin-1-ium-3,5-dicarboxylic acid diethyl ester iodide IUPAC Name: diethyl 1,2,6-trimethyl-4-pyridin-4-yl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate iodide Traditional Name: 1,2,6-trimethyl-4-(4-pyridyl)-1,4-dihydropyridin-1-ium-3,5-dicarboxylic acid diethyl ester iodide Formula: C19H25IN2O4 MolecularWeight: 472.31727

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24N2O4.HI/c1-6-24-18(22)15-12(3)21(5)13(4)16(19(23)25-7-2)17(15)14-8-10-20-11-9-14;/h8-11,17H,6-7H2,1-5H3;1H