1-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)ethanone bromide

Systemtic Name: 1-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)ethanone bromide Openeye Name: 2-(2-methylpyridin-1-ium-1-yl)-1-(o-tolyl)ethanone bromide CAS Name: 1-(2-methylphenyl)-2-(2-methyl-1-pyridin-1-iumyl)ethanone bromide IUPAC Name: 1-(2-methylphenyl)-2-(2-methylpyridin-1-ium-1-yl)ethanone bromide Traditional Name: 2-(2-methylpyridin-1-ium-1-yl)-1-(o-tolyl)ethanone bromide Formula: C15H16BrNO MolecularWeight: 306.19764

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)C[N+]2=CC=CC=C2C.[Br-]

Isomeric SMILES

CC1=CC=CC=C1C(=O)C[N+]2=CC=CC=C2C.[Br-]

InChI

InChI=1S/C15H16NO.BrH/c1-12-7-3-4-9-14(12)15(17)11-16-10-6-5-8-13(16)2;/h3-10H,11H2,1-2H3;1H/q+1;/p-1