3-Azabicyclo(3.2.2)nonane-3-propanol, alpha-benzyl-alpha-(2-thienyl)-, hydrochloride
Basic information
- CAS
73855-69-3- Standard SMILES
OC(CC[NH+]1CC2CCC(CC2)C1)(Cc1ccccc1)c1cccs1.[Cl-]- InChIKey
ADQQWPNWZYNRTO-UHFFFAOYSA-N- Molecular formula
- C22H30ClNOS
- Average molar mass
- 392 g/mol
- Monoisotopic mass
- 391.1736634
Names & identifiers
- Preferred name
- 3-Azabicyclo(3.2.2)nonane-3-propanol, alpha-benzyl-alpha-(2-thienyl)-, hydrochloride
- IUPAC
- 4-(3-azoniabicyclo[3.2.2]nonan-3-yl)-1-phenyl-2-thiophen-2-ylbutan-2-ol chloride
Names & synonyms
3-Azabicyclo(3.2.2)nonane-3-propanol, alpha-benzyl-alpha-(2-thienyl)-, hydrochloride73855-69-3RefChem:1067348NSC 95509alpha-Benzyl-alpha-(2-thienyl)-3-azabicyclo(3.2.2)nonane-3-propanol hydrochloride3-Azabicyclo(3.2.2)nonane-3-propanol, alpha-(phenylmethyl)-alpha-2-thienyl-, hydrochloride
Database identifiers
- CAS
73855-69-3- PubChem CID
- 52655
Properties
Computed structural properties
- Topological polar surface area
- 52.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 402
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Compound notes
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