Basic information
- CAS
78005-05-7- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1cccc[n+]1C.[I-]- InChIKey
MMXSHNFISDTKNX-UHFFFAOYSA-N- Molecular formula
- C19H25IN2O4
- Average molar mass
- 472.3 g/mol
- Monoisotopic mass
- 472.0859
Names & identifiers
- Preferred name
- 2,4'-Bipyridinium, 1',4'-dihydro-3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl ester
- IUPAC
- diethyl 2,6-dimethyl-4-(1-methylpyridin-1-ium-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate iodide
Names & synonyms
78005-05-72,4'-Bipyridinium, 1',4'-dihydro-3',5'-dicarboxy-1,2',6'-trimethyl-, iodide, diethyl esterRefChem:1059533Pan-W-41',4'-Dihydro-3',5'-dicarboxy-1,2',6'-trimethyl-2,4'-bipyridinium iodide diethyl ester
Database identifiers
- CAS
78005-05-7- PubChem CID
- 54044
Properties
Computed structural properties
- Topological polar surface area
- 68.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 554
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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