2-isoquinolin-2-ium-2-yl-1-phenyl-ethanone bromide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-phenyl-ethanone bromide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-phenyl-ethanone bromide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-phenylethanone bromide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-phenylethanone bromide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-phenyl-ethanone bromide Formula: C17H14BrNO MolecularWeight: 328.20316

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14NO.BrH/c19-17(15-7-2-1-3-8-15)13-18-11-10-14-6-4-5-9-16(14)12-18;/h1-12H,13H2;1H/q+1;/p-1