Basic information
- CAS
67196-20-7- Standard SMILES
CCC(=O)N1C2CCC1C[NH+](CCC(=O)c1ccccc1)C2.[Cl-]- InChIKey
CLVGTTCJWXOWEG-UHFFFAOYSA-N- Molecular formula
- C18H25ClN2O2
- Average molar mass
- 336.9 g/mol
- Monoisotopic mass
- 336.1604557
Names & identifiers
- Preferred name
- 3,8-Diazabicyclo(3.2.1)octane, 3-(2-benzoylethyl)-8-propionyl-, hydrochloride
- IUPAC
- 1-phenyl-3-(8-propanoyl-8-aza-3-azoniabicyclo[3.2.1]octan-3-yl)propan-1-one chloride
Names & synonyms
3-(2-Benzoylethyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane hydrochloride3,8-DIAZABICYCLO(3.2.1)OCTANE, 3-(2-BENZOYLETHYL)-8-PROPIONYL-, HYDROCHLORIDE3-(3-Oxo-3-phenylpropyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane hydrochloride67196-20-7RefChem:272676
Database identifiers
- CAS
67196-20-7- PubChem CID
- 49547
Properties
Computed structural properties
- Topological polar surface area
- 41.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 403
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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