3-[(1R,2R)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]phenol bromide
Basic information
- CAS
51572-98-6- Standard SMILES
C[N+]1([C@@H]2CCCC[C@@H]2c2cccc(O)c2)CCCC1.[Br-]- InChIKey
QJPWMSTVMCFKMW-GBNZRNLASA-N- Molecular formula
- C17H26BrNO
- Average molar mass
- 340.3 g/mol
- Monoisotopic mass
- 339.11978
Names & identifiers
- Preferred name
- 3-[(1R,2R)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]phenol bromide
- IUPAC
- 3-[(1R,2R)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]phenol bromide
Names & synonyms
3-[(1R,2R)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]phenol bromide3-[(1R,2R)-2-(1-methylpyrrolidin-1-ium-1-yl)cyclohexyl]phenol;bromideQJPWMSTVMCFKMW-GBNZRNLASA-NNSC 306944
Database identifiers
- CAS
51572-98-6- PubChem CID
- 191192
Properties
Computed structural properties
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 298
Related reactions
1 records
Compound notes
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