1-(4-methoxyphenyl)-2-[3-(4-nitrophenyl)imidazol-1-ium-1-yl]ethanone bromide

Systemtic Name: 1-(4-methoxyphenyl)-2-[3-(4-nitrophenyl)imidazol-1-ium-1-yl]ethanone bromide Openeye Name: 1-(4-methoxyphenyl)-2-[3-(4-nitrophenyl)imidazol-1-ium-1-yl]ethanone bromide CAS Name: 1-(4-methoxyphenyl)-2-[3-(4-nitrophenyl)-1-imidazol-1-iumyl]ethanone bromide IUPAC Name: 1-(4-methoxyphenyl)-2-[3-(4-nitrophenyl)imidazol-1-ium-1-yl]ethanone bromide Traditional Name: 1-(4-methoxyphenyl)-2-[3-(4-nitrophenyl)imidazol-1-ium-1-yl]ethanone bromide Formula: C18H16BrN3O4 MolecularWeight: 418.24134

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C[N+]2=CN(C=C2)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C[N+]2=CN(C=C2)C3=CC=C(C=C3)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C18H16N3O4.BrH/c1-25-17-8-2-14(3-9-17)18(22)12-19-10-11-20(13-19)15-4-6-16(7-5-15)21(23)24;/h2-11,13H,12H2,1H3;1H/q+1;/p-1