Basic information
- Standard SMILES
O=C(C[N+]12CCC(CC1)[C@@H](OC(=O)[C@H](Nc1ccccc1)c1ccccc1)C2)c1ccc([N+](=O)[O-])cc1.[Br-]- InChIKey
LWYNVALJRZTPBV-OJDZNWAUSA-M- Molecular formula
- C29H30BrN3O5
- Average molar mass
- 580.5 g/mol
Names & identifiers
- Preferred name
- (R)-1-[2-(4-nitro-phenyl)-2-oxo-ethyl]-3-((R)-2-phenyl-2-phenylamino-acetoxy)-1-azonia-bicyclo[2.2.2]octane bromide
- IUPAC
- [(3R)-1-[2-(4-nitrophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] (2R)-2-anilino-2-phenylacetate bromide
Names & synonyms
SCHEMBL2481798LWYNVALJRZTPBV-OJDZNWAUSA-M(R)-1-[2-(4-nitro-phenyl)-2-oxo-ethyl]-3-((R)-2-phenyl-2-phenylamino-acetoxy)-1-azonia-bicyclo[2.2.2]octane bromide
Database identifiers
- PubChem CID
- 86643241
Properties
Computed structural properties
- Topological polar surface area
- 101 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 801
Related reactions
2 records
Compound notes
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