Basic information
- CAS
64048-49-3- Standard SMILES
CC[N+](CC)(CC)C(=O)Cc1ccc(-c2ccc(CC(=O)[N+](CC)(CC)CC)cc2)cc1.[I-].[I-]- InChIKey
WGYMHYOPYJTMEX-UHFFFAOYSA-L- Molecular formula
- C28H42I2N2O2
- Average molar mass
- 692.5 g/mol
- Monoisotopic mass
- 692.13357
Names & identifiers
- Preferred name
- Agn-PC-0jkviq
- IUPAC
- triethyl-[2-[4-[4-[2-oxo-2-(triethylazaniumyl)ethyl]phenyl]phenyl]acetyl]azanium diiodide
Names & synonyms
AGN-PC-0JKVIQ64048-49-3DTXSID702755062,2'-([1,1'-Biphenyl]-4,4'-diyl)bis(N,N,N-triethylethanamidium) diiodide
Database identifiers
- CAS
64048-49-3- PubChem CID
- 46791
- DTXSID
DTXSID70275506
Properties
Computed structural properties
- Topological polar surface area
- 34.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 11
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 510
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…