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Basic information
- Standard SMILES
Cl.O=C(Nc1ccc(-c2ccc([N+](=O)[O-])cc2)cc1)[C@H]1CN2CCC1CC2- InChIKey
OEKVEFCRIWSBPD-FYZYNONXSA-N- Molecular formula
- C20H22ClN3O3
- Average molar mass
- 387.9 g/mol
Names & identifiers
- Preferred name
- (3R)-N-(4'-Nitrobiphenyl-4-yl)quinuclidine-3-carboxamide hydrochloride
- IUPAC
- (3R)-N-[4-(4-nitrophenyl)phenyl]-1-azabicyclo[2.2.2]octane-3-carboxamide;hydrochloride
Names & synonyms
SCHEMBL2492455OEKVEFCRIWSBPD-FYZYNONXSA-N(3R)-N-(4'-Nitrobiphenyl-4-yl)quinuclidine-3-carboxamide hydrochloride
Database identifiers
- PubChem CID
- 67427704
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 78.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 511
Related reactions
8 records
Compound notes
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