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

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(4-phenylphenyl)ethanone bromide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(4-phenylphenyl)ethanone bromide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(4-phenylphenyl)ethanone bromide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(4-phenylphenyl)ethanone bromide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-(4-phenylphenyl)ethanone bromide Formula: C23H18BrNO MolecularWeight: 404.29912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC4=CC=CC=C4C=C3.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C2=CC=C(C=C2)C(=O)C[N+]3=CC4=CC=CC=C4C=C3.[Br-]

InChI

InChI=1S/C23H18NO.BrH/c25-23(17-24-15-14-19-8-4-5-9-22(19)16-24)21-12-10-20(11-13-21)18-6-2-1-3-7-18;/h1-16H,17H2;1H/q+1;/p-1