2-(5-nitroisoquinolin-2-ium-2-yl)-1-phenyl-ethanone bromide

Systemtic Name: 2-(5-nitroisoquinolin-2-ium-2-yl)-1-phenyl-ethanone bromide Openeye Name: 2-(5-nitroisoquinolin-2-ium-2-yl)-1-phenyl-ethanone bromide CAS Name: 2-(5-nitro-2-isoquinolin-2-iumyl)-1-phenylethanone bromide IUPAC Name: 2-(5-nitroisoquinolin-2-ium-2-yl)-1-phenylethanone bromide Traditional Name: 2-(5-nitroisoquinolin-2-ium-2-yl)-1-phenyl-ethanone bromide Formula: C17H13BrN2O3 MolecularWeight: 373.20072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C[N+]2=CC3=C(C=C2)C(=CC=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C[N+]2=CC3=C(C=C2)C(=CC=C3)[N+](=O)[O-].[Br-]

InChI

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