2-[3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide

Systemtic Name: 2-[3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Openeye Name: 1-(4-nitrophenyl)-2-[3-(p-tolylmethyl)benzimidazol-3-ium-1-yl]ethanone bromide CAS Name: 2-[3-[(4-methylphenyl)methyl]-1-benzimidazol-3-iumyl]-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-[3-[(4-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-[3-(4-methylbenzyl)benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Formula: C23H20BrN3O3 MolecularWeight: 466.3272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[N+]2=CN(C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

CC1=CC=C(C=C1)C[N+]2=CN(C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C23H20N3O3.BrH/c1-17-6-8-18(9-7-17)14-24-16-25(22-5-3-2-4-21(22)24)15-23(27)19-10-12-20(13-11-19)26(28)29;/h2-13,16H,14-15H2,1H3;1H/q+1;/p-1