Basic information
- CAS
56232-04-3- Standard SMILES
O=C(CC[NH+]1CC2(c3cccc(O)c3)CCCC1C2)c1ccccc1.[Cl-]- InChIKey
IWPLHPSQZZBDDK-UHFFFAOYSA-N- Molecular formula
- C22H26ClNO2
- Average molar mass
- 371.9 g/mol
- Monoisotopic mass
- 371.1652068
Names & identifiers
- Preferred name
- 6-Azabicyclo(3.2.1)octane, 6-(2-benzoylethyl)-1-(m-hydroxyphenyl)-, hydrochloride
- IUPAC
- 3-[1-(3-hydroxyphenyl)-6-azoniabicyclo[3.2.1]octan-6-yl]-1-phenylpropan-1-one chloride
Names & synonyms
6-Azabicyclo(3.2.1)octane, 6-(2-benzoylethyl)-1-(m-hydroxyphenyl)-, hydrochloride6-(2-Benzoylethyl)-1-(m-hydroxyphenyl)-6-azabicyclo(3.2.1)octane hydrochloride56232-04-3RefChem:307192
Database identifiers
- CAS
56232-04-3- PubChem CID
- 41804
Properties
Computed structural properties
- Topological polar surface area
- 41.7 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 473
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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