9-Azabicyclo(3.3.1)nonan-3-ol, 9-(3-(p-fluorophenylthio)propyl)-3-phenyl-, hydrochloride

HCID 59656

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Basic information

CAS: 102585-84-2
Standard SMILES: Fc1ccc(SCCC[NH+]2C3CCCC2CC(Oc2ccccc2)C3)cc1.[Cl-]
InChIKey: ZCTRYSJRFNJTEG-UHFFFAOYSA-N
Molecular formula: C23H29ClFNOS
Average molar mass: 422 g/mol
Monoisotopic mass: 421.1642416

Names & identifiers

Preferred name: 9-Azabicyclo(3.3.1)nonan-3-ol, 9-(3-(p-fluorophenylthio)propyl)-3-phenyl-, hydrochloride
IUPAC: 9-[3-(4-fluorophenyl)sulfanylpropyl]-3-phenoxy-9-azoniabicyclo[3.3.1]nonane chloride

Names & synonyms

9-Azabicyclo(3.3.1)nonan-3-ol, 9-(3-(p-fluorophenylthio)propyl)-3-phenyl-, hydrochloride9-(3-p-Fluorothiophenylpropyl)-3-phenyl-3-granatanol hydrochloride9-(3-(p-Fluorophenylthio)propyl)-3-phenyl-9-azabicyclo(3.3.1)nonan-3-ol hydrochloride102585-84-2RefChem:312957

Database identifiers

CAS: 102585-84-2
PubChem CID: 59656

Properties

Computed structural properties

Topological polar surface area: 39 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 28
Formal charge: 0
Complexity: 422

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