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Basic information
- Standard SMILES
O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)C(NCc1ccc(F)cc1)c1ccccc1)C2)c1ccccc1.[Br-]- InChIKey
YTZYYNGVUARFTL-FLCZEHJOSA-M- Molecular formula
- C30H32BrFN2O3
- Average molar mass
- 567.5 g/mol
- Monoisotopic mass
- 566.15803
Names & identifiers
- Preferred name
- (R)-3-[2-(4-fluoro-benzylamino)-2-phenyl-acetoxy]-1-(2-oxo-2-phenyl-ethyl)-1-azonia-bicyclo[2.2.2]octane bromide
- IUPAC
- [(3R)-1-phenacyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-[(4-fluorophenyl)methylamino]-2-phenylacetate bromide
Names & synonyms
SCHEMBL2486701YTZYYNGVUARFTL-FLCZEHJOSA-M(R)-3-[2-(4-fluoro-benzylamino)-2-phenyl-acetoxy]-1-(2-oxo-2-phenyl-ethyl)-1-azonia-bicyclo[2.2.2]octane bromide
Database identifiers
- PubChem CID
- 86643234
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 732
Related reactions
2 records
Compound notes
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