Basic information
- Standard SMILES
Cc1ccc(NC(C(=O)O[C@H]2C[N+]3(CC(=O)c4ccccc4)CCC2CC3)c2ccccc2)cc1F.[Br-]- InChIKey
NAROGEQGEWPOFK-QBLFZEFJSA-M- Molecular formula
- C30H32BrFN2O3
- Average molar mass
- 567.5 g/mol
Names & identifiers
- Preferred name
- (R)-3-[2-(3-fluoro-4-methyl-phenylamino)-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-(3-fluoro-4-methylanilino)-2-phenylacetate bromide
Names & synonyms
SCHEMBL2510779NAROGEQGEWPOFK-QBLFZEFJSA-M(R)-3-[2-(3-fluoro-4-methyl-phenylamino)-2-phenyl-acetoxy]-1-(2-oxo-2-phenyl-ethyl)-1-azonia-bicyclo[2.2.2]octane bromide
Database identifiers
- PubChem CID
- 86643221
Properties
Computed structural properties
- Topological polar surface area
- 55.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 755
Related reactions
2 records
Compound notes
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