Basic information
- Standard SMILES
C=COC(=O)NC(C(=O)O[C@H]1C[N+]2(CC(=O)c3ccccc3)CCC1CC2)c1ccccc1.[Br-]- InChIKey
HZEMLZMOJXISNL-YJACZWIBSA-N- Molecular formula
- C26H29BrN2O5
- Average molar mass
- 529.4 g/mol
- Monoisotopic mass
- 528.12598
Names & identifiers
- Preferred name
- (3R)-1-(2-oxo-2-phenylethyl)-3-(2-phenyl-2-(vinyloxycarbonylamino)-acetoxy)-1-azoniabicyclo[2.2.2]octane bromide
- IUPAC
- [(3R)-1-phenacyl-1-azoniabicyclo[2.2.2]octan-3-yl] 2-(ethenoxycarbonylamino)-2-phenylacetate bromide
Names & synonyms
SCHEMBL8510556HZEMLZMOJXISNL-YJACZWIBSA-N(3R)-1-(2-oxo-2-phenylethyl)-3-(2-phenyl-2-(vinyloxycarbonylamino)-acetoxy)-1-azoniabicyclo[2.2.2]octane bromide
Database identifiers
- PubChem CID
- 86665828
Properties
Computed structural properties
- Topological polar surface area
- 81.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 10
- Heavy atoms
- 34
- Formal charge
- 0
- Complexity
- 718
Related reactions
1 records
Compound notes
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