2-(2-azanyl-3-ethyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide

Systemtic Name: 2-(2-azanyl-3-ethyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Openeye Name: 2-(2-amino-3-ethyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide CAS Name: 2-(2-amino-3-ethyl-1-benzimidazol-1-iumyl)-1-(3,4-dichlorophenyl)ethanone bromide IUPAC Name: 2-(2-amino-3-ethylbenzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Traditional Name: 2-(2-amino-3-ethyl-benzimidazol-1-ium-1-yl)-1-(3,4-dichlorophenyl)ethanone bromide Formula: C17H16BrCl2N3O MolecularWeight: 429.13844

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=C(C=C3)Cl)Cl.[Br-]

Isomeric SMILES

CCN1C2=CC=CC=C2[N+](=C1N)CC(=O)C3=CC(=C(C=C3)Cl)Cl.[Br-]

InChI

InChI=1S/C17H15Cl2N3O.BrH/c1-2-21-14-5-3-4-6-15(14)22(17(21)20)10-16(23)11-7-8-12(18)13(19)9-11;/h3-9,20H,2,10H2,1H3;1H