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

Systemtic Name: 2-(1-methylisoquinolin-2-ium-2-yl)-1-(4-methylphenyl)ethanone bromide Openeye Name: 2-(1-methylisoquinolin-2-ium-2-yl)-1-(p-tolyl)ethanone bromide CAS Name: 2-(1-methyl-2-isoquinolin-2-iumyl)-1-(4-methylphenyl)ethanone bromide IUPAC Name: 2-(1-methylisoquinolin-2-ium-2-yl)-1-(4-methylphenyl)ethanone bromide Traditional Name: 2-(1-methylisoquinolin-2-ium-2-yl)-1-(p-tolyl)ethanone bromide Formula: C19H18BrNO MolecularWeight: 356.25632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C[N+]2=C(C3=CC=CC=C3C=C2)C.[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C[N+]2=C(C3=CC=CC=C3C=C2)C.[Br-]

InChI

InChI=1S/C19H18NO.BrH/c1-14-7-9-17(10-8-14)19(21)13-20-12-11-16-5-3-4-6-18(16)15(20)2;/h3-12H,13H2,1-2H3;1H/q+1;/p-1