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Structure

Diethyl2,6-dimethyl-4-(1-methylpyridin-1-ium-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide

CAS
78005-05-7
Catalog Number
ACM78005057
Category
Other Products
Molecular Weight
472.317 g/mol
Molecular Formula
C19H25IN2O4

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Specification

Synonyms
Pan-W-4, CID54044, LS-44645, 2,4-Bipyridinium, 1,4-dihydro-3,5-dicarboxy-1,2,6-trimethyl-, iodide, diethyl ester, 1,4-Dihydro-3,5-dicarboxy-1,2,6-trimethyl-2,4-bipyridinium iodide diethyl ester, 78005-05-7
IUPAC Name
diethyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide
Canonical SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=[N+]2C)C(=O)OCC)C)C.[I-]
InChI Key
MMXSHNFISDTKNX-UHFFFAOYSA-N
Exact Mass
472.08600
H-Bond Acceptor
6
H-Bond Donor
1
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