Basic information
- CAS
66941-29-5- Standard SMILES
CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC)C1c1ccc([N+](C)(C)C)cc1.[I-]- InChIKey
QFLVNTDPCOWTCH-UHFFFAOYSA-N- Molecular formula
- C22H31IN2O4
- Average molar mass
- 514.4 g/mol
- Monoisotopic mass
- 514.13286
Names & identifiers
- Preferred name
- Ammonium, (p-(1,4-dihydro-3,5-diethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)trimethyl-, iodide
- IUPAC
- [4-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-trimethylazanium iodide
Names & synonyms
Ammonium, (p-(1,4-dihydro-3,5-diethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)trimethyl-, iodide66941-29-5DTXSID20217113RefChem:319056DTXCID201396044-[3,5-bis(ethoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]-N,N,N-trimethylanilinium iodide
Database identifiers
- CAS
66941-29-5- PubChem CID
- 48484
- DTXSID
DTXSID20217113
Properties
Computed structural properties
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 625
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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