2-(3-bromanylquinolin-1-ium-1-yl)-1-(4-methoxy-3-nitro-phenyl)ethanone bromide

Systemtic Name: 2-(3-bromanylquinolin-1-ium-1-yl)-1-(4-methoxy-3-nitro-phenyl)ethanone bromide Openeye Name: 2-(3-bromoquinolin-1-ium-1-yl)-1-(4-methoxy-3-nitro-phenyl)ethanone bromide CAS Name: 2-(3-bromo-1-quinolin-1-iumyl)-1-(4-methoxy-3-nitrophenyl)ethanone bromide IUPAC Name: 2-(3-bromoquinolin-1-ium-1-yl)-1-(4-methoxy-3-nitrophenyl)ethanone bromide Traditional Name: 2-(3-bromoquinolin-1-ium-1-yl)-1-(4-methoxy-3-nitro-phenyl)ethanone bromide Formula: C18H14Br2N2O4 MolecularWeight: 482.12276

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC(=CC3=CC=CC=C32)Br)[N+](=O)[O-].[Br-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)C[N+]2=CC(=CC3=CC=CC=C32)Br)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C18H14BrN2O4.BrH/c1-25-18-7-6-13(9-16(18)21(23)24)17(22)11-20-10-14(19)8-12-4-2-3-5-15(12)20;/h2-10H,11H2,1H3;1H/q+1;/p-1