3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-butyl-, hydrochloride

HCID 51179

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Basic information

CAS: 70802-28-7
Standard SMILES: CCCC[NH+]1CC2CC(CN(C(=O)c3ccccc3)C2)C1.[Cl-]
InChIKey: LTTZJZRYQIZHPN-UHFFFAOYSA-N
Molecular formula: C18H27ClN2O
Average molar mass: 322.9 g/mol
Monoisotopic mass: 322.1811912

Names & identifiers

Preferred name: 3,7-Diazabicyclo(3.3.1)nonane, 3-benzoyl-7-butyl-, hydrochloride
IUPAC: (7-butyl-3-aza-7-azoniabicyclo[3.3.1]nonan-3-yl)-phenylmethanone chloride

Names & synonyms

3-Benzoyl-7-butylbispidine hydrochloride3-Benzoyl-7-butyl-3,7-diazabicyclo(3.3.1)nonane hydrochloride3,7-DIAZABICYCLO(3.3.1)NONANE, 3-BENZOYL-7-BUTYL-, HYDROCHLORIDE70802-28-7RefChem:272517

Database identifiers

CAS: 70802-28-7
PubChem CID: 51179

Properties

Computed structural properties

Topological polar surface area: 24.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 22
Formal charge: 0
Complexity: 337

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