2-isoquinolin-2-ium-2-yl-1-(2-nitrophenyl)ethanone bromide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(2-nitrophenyl)ethanone bromide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(2-nitrophenyl)ethanone bromide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(2-nitrophenyl)ethanone bromide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(2-nitrophenyl)ethanone bromide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-(2-nitrophenyl)ethanone bromide Formula: C17H13BrN2O3 MolecularWeight: 373.20072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC=CC=C3[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC=CC=C3[N+](=O)[O-].[Br-]

InChI

InChI=1S/C17H13N2O3.BrH/c20-17(15-7-3-4-8-16(15)19(21)22)12-18-10-9-13-5-1-2-6-14(13)11-18;/h1-11H,12H2;1H/q+1;/p-1