6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-hydroxyphenyl)-, benzoate (ester), hydrochloride
Basic information
- CAS
56232-09-8- Standard SMILES
CC1C2CC(CCC2c2cccc(OC(=O)c3ccccc3)c2)[NH+]1C.[Cl-]- InChIKey
FLTCJLKJXCMDSO-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, 6,7-dimethyl-1-(m-hydroxyphenyl)-, benzoate (ester), hydrochloride
- IUPAC
- [3-(6,7-dimethyl-6-azoniabicyclo[3.2.1]octan-2-yl)phenyl] benzoate chloride
Names & synonyms
6-Azabicyclo(3.2.1)octane, 6,7-dimethyl-1-(m-hydroxyphenyl)-, benzoate (ester), hydrochloride6,7-Dimethyl-1-(m-hydroxyphenyl)-6-azabicyclo(3.2.1)octane benzoate (ester) hydrochloride56232-09-8RefChem:307186
Database identifiers
- CAS
56232-09-8- PubChem CID
- 41814
Properties
Computed structural properties
- Topological polar surface area
- 30.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 473
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Compound notes
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