1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1-azoniabicyclo[2.2.2]octan-3-one bromide

Systemtic Name: 1-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]-1-azoniabicyclo[2.2.2]octan-3-one bromide Openeye Name: 1-[2-(4-bromophenyl)-2-oxo-ethyl]quinuclidin-1-ium-3-one bromide CAS Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-one bromide IUPAC Name: 1-[2-(4-bromophenyl)-2-oxoethyl]-1-azoniabicyclo[2.2.2]octan-3-one bromide Traditional Name: 1-[2-(4-bromophenyl)-2-keto-ethyl]quinuclidin-1-ium-3-one bromide Formula: C15H17Br2NO2 MolecularWeight: 403.10898

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17BrNO2.BrH/c16-13-3-1-11(2-4-13)14(18)9-17-7-5-12(6-8-17)15(19)10-17;/h1-4,12H,5-10H2;1H/q+1;/p-1