1-butyl-1-azoniabicyclo[2.2.2]octan-3-one bromide

Systemtic Name: 1-butyl-1-azoniabicyclo[2.2.2]octan-3-one bromide Openeye Name: 1-butylquinuclidin-1-ium-3-one bromide CAS Name: 1-butyl-1-azoniabicyclo[2.2.2]octan-3-one bromide IUPAC Name: 1-butyl-1-azoniabicyclo[2.2.2]octan-3-one bromide Traditional Name: 1-butylquinuclidin-1-ium-3-one bromide Formula: C11H20BrNO MolecularWeight: 262.1866

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+]12CCC(CC1)C(=O)C2.[Br-]

Isomeric SMILES

CCCC[N+]12CCC(CC1)C(=O)C2.[Br-]

InChI

InChI=1S/C11H20NO.BrH/c1-2-3-6-12-7-4-10(5-8-12)11(13)9-12;/h10H,2-9H2,1H3;1H/q+1;/p-1