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

Systemtic Name: 2-[2-azanyl-3-[(2-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-[2-amino-3-(o-tolylmethyl)benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-[2-amino-3-[(2-methylphenyl)methyl]-1-benzimidazol-3-iumyl]-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-[2-amino-3-[(2-methylphenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-[2-amino-3-(2-methylbenzyl)benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Formula: C23H21BrN4O3 MolecularWeight: 481.34184

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])N.[Br-]

Isomeric SMILES

CC1=CC=CC=C1C[N+]2=C(N(C3=CC=CC=C32)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-])N.[Br-]

InChI

InChI=1S/C23H20N4O3.BrH/c1-16-6-2-3-7-18(16)14-25-20-8-4-5-9-21(20)26(23(25)24)15-22(28)17-10-12-19(13-11-17)27(29)30;/h2-13,24H,14-15H2,1H3;1H