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

Systemtic Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(4-methylphenyl)ethanone bromide Openeye Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(p-tolyl)ethanone bromide CAS Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(4-methylphenyl)ethanone bromide IUPAC Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(4-methylphenyl)ethanone bromide Traditional Name: 2-(1-aza-4-azoniabicyclo[2.2.2]octan-4-yl)-1-(p-tolyl)ethanone bromide Formula: C15H21BrN2O MolecularWeight: 325.24404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]23CCN(CC2)CC3.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]23CCN(CC2)CC3.[Br-]

InChI

InChI=1S/C15H21N2O.BrH/c1-13-2-4-14(5-3-13)15(18)12-17-9-6-16(7-10-17)8-11-17;/h2-5H,6-12H2,1H3;1H/q+1;/p-1