Basic information
- CAS
53219-30-0- Standard SMILES
CCOC(=O)C1=C(C)[NH+](C)C(C)=C(C(=O)OCC)C1c1ccncc1.[I-]- InChIKey
UHIOKADSJOWDKW-UHFFFAOYSA-N- Molecular formula
- C19H25IN2O4
- Average molar mass
- 472.3 g/mol
- Monoisotopic mass
- 472.0859
Names & identifiers
- Preferred name
- Pan-W-5
- IUPAC
- diethyl 1,2,6-trimethyl-4-pyridin-4-yl-1,4-dihydropyridin-1-ium-3,5-dicarboxylate iodide
Names & synonyms
Pan-W-51,4-Dihydro-3,5-dicarboxy-1,2,6-trimethyl-4,4'-bipyridinium iodide diethyl ester4,4'-Bipyridinium, 1,4-dihydro-3,5-dicarboxy-1,2,6-trimethyl-, iodide, diethyl ester53219-30-0RefChem:367855
Database identifiers
- CAS
53219-30-0- PubChem CID
- 40671
Properties
Computed structural properties
- Topological polar surface area
- 69.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 546
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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