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

Systemtic Name: 2-isoquinolin-2-ium-2-yl-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-isoquinolin-2-ium-2-yl-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-(2-isoquinolin-2-iumyl)-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-isoquinolin-2-ium-2-yl-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-isoquinolin-2-ium-2-yl-1-(4-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=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

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

InChI

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