3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-chlorophenyl)allyl)-8-propionyl-, hydrochloride

HCID 6433335

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Basic information

CAS: 2413-21-0
Standard SMILES: CCC(=O)N1C2CCC1C[NH+](C/C=C/c1ccccc1Cl)C2.[Cl-]
InChIKey: XAZGCAVILUWAMW-GZOLSCHFSA-N
Molecular formula: C18H24Cl2N2O
Average molar mass: 355.3 g/mol
Monoisotopic mass: 354.1265688

Names & identifiers

Preferred name: 3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-chlorophenyl)allyl)-8-propionyl-, hydrochloride
IUPAC: 1-[3-[(E)-3-(2-chlorophenyl)prop-2-enyl]-8-aza-3-azoniabicyclo[3.2.1]octan-8-yl]propan-1-one chloride

Names & synonyms

3,8-Diazabicyclo(3.2.1)octane, 3-(3-(o-chlorophenyl)allyl)-8-propionyl-, hydrochloride2413-21-0RefChem:10661813-(3-(o-Chlorophenyl)allyl)-8-propionyl-3,8-diazabicyclo(3.2.1)octane hydrochloride

Database identifiers

CAS: 2413-21-0
PubChem CID: 6433335

Properties

Computed structural properties

Topological polar surface area: 24.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 23
Formal charge: 0
Complexity: 411

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