1-(2,4-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide

Systemtic Name: 1-(2,4-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide Openeye Name: 1-(2,4-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-ethanone bromide CAS Name: 1-(2,4-dimethylphenyl)-2-(2-isoquinolin-2-iumyl)ethanone bromide IUPAC Name: 1-(2,4-dimethylphenyl)-2-isoquinolin-2-ium-2-ylethanone bromide Traditional Name: 1-(2,4-dimethylphenyl)-2-isoquinolin-2-ium-2-yl-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=CC3=CC=CC=C3C=C2)C.[Br-]

Isomeric SMILES

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

InChI

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