Basic information
- CAS
66941-31-9- Standard SMILES
CCCC[N+](C)(C)c1ccc(C2C(C(=O)OC)=C(C)NC(C)=C2C(=O)OC)cc1.[I-]- InChIKey
ASABOMCYDRXYEW-UHFFFAOYSA-N- Molecular formula
- C23H33IN2O4
- Average molar mass
- 528.4 g/mol
- Monoisotopic mass
- 528.14851
Names & identifiers
- Preferred name
- Ammonium, (p-(1,4-dihydro-3,5-dimethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)butyldimethyl-, iodide
- IUPAC
- [4-[3,5-bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]phenyl]-butyl-dimethylazanium iodide
Names & synonyms
66941-31-9Ammonium, (p-(1,4-dihydro-3,5-dimethoxycarbonyl-2,6-dimethyl-4-pyridyl)phenyl)butyldimethyl-, iodideDTXSID40217115RefChem:319058DTXCID401396064-[3,5-Bis(methoxycarbonyl)-2,6-dimethyl-1,4-dihydropyridin-4-yl]-N-butyl-N,N-dimethylanilinium iodide
Database identifiers
- CAS
66941-31-9- PubChem CID
- 48488
- DTXSID
DTXSID40217115
Properties
Computed structural properties
- Topological polar surface area
- 64.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 647
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…