Basic information
- CAS
63717-12-4- Standard SMILES
C=CC1C[N+]2(CCC)CCC1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc12.[Br-]- InChIKey
DSXBQRQLQMPKOA-XJXJHPFJSA-M- Molecular formula
- C23H31BrN2O2
- Average molar mass
- 447.4 g/mol
- Monoisotopic mass
- 446.15689
Names & identifiers
- Preferred name
- Quinine propyl bromide
- IUPAC
- (S)-[(2R)-5-ethenyl-1-propyl-1-azoniabicyclo[2.2.2]octan-2-yl]-(6-methoxyquinolin-4-yl)methanol bromide
Names & synonyms
Quinine propyl bromide63717-12-4RefChem:1097798Quinine, n-propyl bromideDTXSID80980139Cinchonan-9-ol, 6'-methoxy-, (8alpha,9R)-, compd with 1-bromopropane (1:1)9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium bromide(1xi,3xi,9S)-9-Hydroxy-6'-methoxy-1-propylcinchonan-1-ium bromide
Database identifiers
- CAS
63717-12-4- PubChem CID
- 44640
- DTXSID
DTXSID80980139
Properties
Computed structural properties
- Topological polar surface area
- 42.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 527
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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