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

Systemtic Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-phenyl-ethanone bromide CAS Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-phenylethanone bromide IUPAC Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-phenylethanone bromide Traditional Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-phenyl-ethanone bromide Formula: C14H19BrN2O MolecularWeight: 311.21746

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N2O.BrH/c17-14(13-4-2-1-3-5-13)12-16-9-6-15(7-10-16)8-11-16;/h1-5H,6-12H2;1H/q+1;/p-1