Basic information
- Standard SMILES
O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C(NCc1ccc(F)cc1)c1ccccc1)C2)c1cccs1.[Cl-]- InChIKey
NCAYKSFJZCOQHJ-JVMJNMTASA-M- Molecular formula
- C28H30ClFN2O3S
- Average molar mass
- 529.1 g/mol
Names & identifiers
- Preferred name
- (R)-3-[2-(4-fluoro-benzylamino)-2-phenyl-acetoxy]-1-(2-oxo-2-thiophen-2-yl-ethyl)-1-azonia-bicyclo[2.2.2]octane chloride
- IUPAC
- [(3R)-1-(2-oxo-2-thiophen-2-ylethyl)-1-azoniabicyclo[2.2.2]octan-3-yl] 2-[(4-fluorophenyl)methylamino]-2-phenylacetate chloride
Names & synonyms
SCHEMBL2487804NCAYKSFJZCOQHJ-JVMJNMTASA-M(R)-3-[2-(4-fluoro-benzylamino)-2-phenyl-acetoxy]-1-(2-oxo-2-thiophen-2-yl-ethyl)-1-azonia-bicyclo[2.2.2]octane chloride
Database identifiers
- PubChem CID
- 86643233
Properties
Computed structural properties
- Topological polar surface area
- 83.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 10
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 730
Related reactions
2 records
Compound notes
Loading…