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

Systemtic Name: 1-(4-nitrophenyl)-2-[3-(phenylmethyl)imidazol-3-ium-1-yl]ethanone bromide Openeye Name: 2-(3-benzylimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide CAS Name: 1-(4-nitrophenyl)-2-[3-(phenylmethyl)-1-imidazol-3-iumyl]ethanone bromide IUPAC Name: 2-(3-benzylimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-(3-benzylimidazol-3-ium-1-yl)-1-(4-nitrophenyl)ethanone bromide Formula: C18H16BrN3O3 MolecularWeight: 402.24194

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N3O3.BrH/c22-18(16-6-8-17(9-7-16)21(23)24)13-20-11-10-19(14-20)12-15-4-2-1-3-5-15;/h1-11,14H,12-13H2;1H/q+1;/p-1