Basic information
- CAS
66941-32-0- Standard SMILES
CCCCC[N+](C)(C)c1ccc(C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cc1.[I-]- InChIKey
QKSPYAFPVBOPBZ-UHFFFAOYSA-N- Molecular formula
- C24H35IN2O4
- Average molar mass
- 542.4 g/mol
- Monoisotopic mass
- 542.16416
Names & identifiers
- Preferred name
- Ammonium, (p-(1,4-dihydro-3,5-dimethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)dimethylpentyl-, iodide
- IUPAC
- [4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-dimethyl-pentylazanium iodide
Names & synonyms
66941-32-0Ammonium, (p-(1,4-dihydro-3,5-dimethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)dimethylpentyl-, iodideDTXSID00217116RefChem:319059DTXCID001396074-[3,5-Bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]-N,N-dimethyl-N-pentylanilinium iodide
Database identifiers
- CAS
66941-32-0- PubChem CID
- 48490
- DTXSID
DTXSID00217116
Properties
Computed structural properties
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 662
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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