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

Systemtic Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(4-bromophenyl)ethanone bromide Openeye Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(4-bromophenyl)ethanone bromide CAS Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(4-bromophenyl)ethanone bromide IUPAC Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(4-bromophenyl)ethanone bromide Traditional Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(4-bromophenyl)ethanone bromide Formula: C14H18Br2N2O MolecularWeight: 390.11352

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+]2(CCN1CC2)CC(=O)C3=CC=C(C=C3)Br.[Br-]

Isomeric SMILES

C1C[N+]2(CCN1CC2)CC(=O)C3=CC=C(C=C3)Br.[Br-]

InChI

InChI=1S/C14H18BrN2O.BrH/c15-13-3-1-12(2-4-13)14(18)11-17-8-5-16(6-9-17)7-10-17;/h1-4H,5-11H2;1H/q+1;/p-1