2-isoquinolin-2-ium-2-yl-1-(4-methylphenyl)ethanone bromide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(4-methylphenyl)ethanone bromide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(p-tolyl)ethanone bromide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(4-methylphenyl)ethanone bromide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(4-methylphenyl)ethanone bromide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-(p-tolyl)ethanone bromide Formula: C18H16BrNO MolecularWeight: 342.22974

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Br-]

InChI

InChI=1S/C18H16NO.BrH/c1-14-6-8-16(9-7-14)18(20)13-19-11-10-15-4-2-3-5-17(15)12-19;/h2-12H,13H2,1H3;1H/q+1;/p-1