2-isoquinolin-2-ium-2-yl-1-(3-nitrophenyl)ethanone bromide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(3-nitrophenyl)ethanone bromide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(3-nitrophenyl)ethanone bromide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(3-nitrophenyl)ethanone bromide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(3-nitrophenyl)ethanone bromide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-(3-nitrophenyl)ethanone bromide Formula: C17H13BrN2O3 MolecularWeight: 373.20072

Click to see the large picture

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