8-Azoniabicyclo[3.2.1]octane,3-[(cyclopentylphenylacetyl)oxy]-8-methyl-8-(1-methylethyl)-, bromide,(3-endo,8-syn)-(9CI)

HCID 72010

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Basic information

CAS: 85166-20-7
Standard SMILES: CC(C)[N+]1(C)[C@@H]2CC[C@@H]1CC(OC(=O)C(c1ccccc1)C1CCCC1)C2.[Br-]
InChIKey: WEUHJSOYWODZCN-TYRVUEKKSA-M
Molecular formula: C24H36BrNO2
Average molar mass: 450.5 g/mol
Monoisotopic mass: 449.19294

Names & identifiers

Preferred name: 8-Azoniabicyclo[3.2.1]octane,3-[(cyclopentylphenylacetyl)oxy]-8-methyl-8-(1-methylethyl)-, bromide,(3-endo,8-syn)-(9CI)
IUPAC: [(1R,5R)-8-methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-cyclopentyl-2-phenylacetate bromide

Names & synonyms

8-Azoniabicyclo[3.2.1]octane,3-[(cyclopentylphenylacetyl)oxy]-8-methyl-8-(1-methylethyl)-, bromide,(3-endo,8-syn)- (9CI)85166-20-73-{[Cyclopentyl(phenyl)acetyl]oxy}-8-methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-8-ium bromideDTXSID001002734NS00126376(1R,5R)-3-{[Cyclopentyl(phenyl)acetyl]oxy}-8-methyl-8-(propan-2-yl)-8-azabicyclo[3.2.1]octan-8-ium bromide[(1R,5R)-8-Methyl-8-propan-2-yl-8-azoniabicyclo[3.2.1]octan-3-yl] 2-cyclopentyl-2-phenylacetate;bromide

Database identifiers

CAS: 85166-20-7
PubChem CID: 72010
DTXSID: DTXSID001002734

Properties

Computed structural properties

Topological polar surface area: 26.3 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 6
Heavy atoms: 28
Formal charge: 0
Complexity: 504

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