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

CAS: 78005-05-7

Molecular Formula	`C19H25IN2O4`
Molecular Weight	472.3 g/mol
Topological Polar Surface Area	68.5 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	7
Exact Mass	472.0859
Heavy Atoms	26
Complexity	554.0

Chemical Identifiers

CAS Number	78005-05-7
SMILES	`CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=[N+]2C)C(=O)OCC)C)C.[I-]`
InChIKey	`MMXSHNFISDTKNX-UHFFFAOYSA-N`

📖 Product Overview

diethyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide (CAS: 78005-05-7) is a chemical compound with molecular formula C19H25IN2O4 and molecular weight 472.3 g/mol. Its IUPAC systematic name is diethyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide. Topological Polar Surface Area 68.5 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 7 Exact Mass 472.0859 Heavy Atoms 26 Complexity 554.0 InChI Key: MMXSHNFISDTKNX-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=[N+]2C)C(=O)OCC)C)C.[I-].

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