1-(4-bromophenyl)-2-(3-oxidanyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethanone bromide

Systemtic Name: 1-(4-bromophenyl)-2-(3-oxidanyl-1-azoniabicyclo[2.2.2]octan-1-yl)ethanone bromide Openeye Name: 1-(4-bromophenyl)-2-(3-hydroxyquinuclidin-1-ium-1-yl)ethanone bromide CAS Name: 1-(4-bromophenyl)-2-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)ethanone bromide IUPAC Name: 1-(4-bromophenyl)-2-(3-hydroxy-1-azoniabicyclo[2.2.2]octan-1-yl)ethanone bromide Traditional Name: 1-(4-bromophenyl)-2-(3-hydroxyquinuclidin-1-ium-1-yl)ethanone bromide Formula: C15H19Br2NO2 MolecularWeight: 405.12486

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCC1C(C2)O)CC(=O)C3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

C1C[N+]2(CCC1C(C2)O)CC(=O)C3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C15H19BrNO2.BrH/c16-13-3-1-11(2-4-13)14(18)9-17-7-5-12(6-8-17)15(19)10-17;/h1-4,12,15,19H,5-10H2;1H/q+1;/p-1