2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(3,4-dichlorophenyl)ethanone bromide

Systemtic Name: 2-[2-azanyl-3-(phenylmethyl)benzimidazol-3-ium-1-yl]-1-(3,4-dichlorophenyl)ethanone bromide Openeye Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide CAS Name: 2-[2-amino-3-(phenylmethyl)-1-benzimidazol-3-iumyl]-1-(3,4-dichlorophenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-benzylbenzimidazol-3-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Traditional Name: 2-(2-amino-3-benzyl-benzimidazol-3-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Formula: C22H18BrCl2N3O MolecularWeight: 491.20782

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17Cl2N3O.BrH/c23-17-11-10-16(12-18(17)24)21(28)14-27-20-9-5-4-8-19(20)26(22(27)25)13-15-6-2-1-3-7-15;/h1-12,25H,13-14H2;1H