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

Systemtic Name: 2-[2-azanyl-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Openeye Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide CAS Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]-1-benzimidazol-3-iumyl]-1-(4-nitrophenyl)ethanone bromide IUPAC Name: 2-[2-amino-3-[(4-chlorophenyl)methyl]benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Traditional Name: 2-[2-amino-3-(4-chlorobenzyl)benzimidazol-3-ium-1-yl]-1-(4-nitrophenyl)ethanone bromide Formula: C22H18BrClN4O3 MolecularWeight: 501.76032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=[N+]2CC3=CC=C(C=C3)Cl)N)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=[N+]2CC3=CC=C(C=C3)Cl)N)CC(=O)C4=CC=C(C=C4)[N+](=O)[O-].[Br-]

InChI

InChI=1S/C22H17ClN4O3.BrH/c23-17-9-5-15(6-10-17)13-25-19-3-1-2-4-20(19)26(22(25)24)14-21(28)16-7-11-18(12-8-16)27(29)30;/h1-12,24H,13-14H2;1H