Basic information
- Standard SMILES
Cc1ccc(C(O)(C(=O)O[C@H]2C[N+]3(CC(=O)Nc4ccon4)CCC2CC3)c2ccc(C)cc2)cc1.[Br-]- InChIKey
LMVPTKHKZQNMTP-DMWRAEOSSA-N- Molecular formula
- C28H32BrN3O5
- Average molar mass
- 570.5 g/mol
Names & identifiers
- Preferred name
- (R)-3-(2-Hydroxy-2,2-di-p-tolyl-acetoxy)-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2]octane bromide
- IUPAC
- [(3R)-1-[2-(1,2-oxazol-3-ylamino)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-yl] 2-hydroxy-2,2-bis(4-methylphenyl)acetate bromide
Names & synonyms
SCHEMBL2797539LMVPTKHKZQNMTP-DMWRAEOSSA-N(R)-3-(2-Hydroxy-2,2-di-p-tolyl-acetoxy)-1-(isoxazol-3-ylcarbamoylmethyl)-1-azonia-bicyclo[2.2.2]octane bromide
Database identifiers
- PubChem CID
- 11570477
Properties
Computed structural properties
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 8
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 760
Related reactions
2 records
Compound notes
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