2-[2-azanylidene-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanone bromide

Systemtic Name: 2-[2-azanylidene-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanone bromide Openeye Name: 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone bromide CAS Name: 1-(3,4-dichlorophenyl)-2-[2-imino-3-[2-(1-pyrrolidin-1-iumyl)ethyl]-1-benzimidazolyl]ethanone bromide IUPAC Name: 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone bromide Traditional Name: 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-pyrrolidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone bromide Formula: C21H23BrCl2N4O MolecularWeight: 498.24352

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=C(C=C4)Cl)Cl.[Br-]

Isomeric SMILES

C1CC[NH+](C1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=C(C=C4)Cl)Cl.[Br-]

InChI

InChI=1S/C21H22Cl2N4O.BrH/c22-16-8-7-15(13-17(16)23)20(28)14-27-19-6-2-1-5-18(19)26(21(27)24)12-11-25-9-3-4-10-25;/h1-2,5-8,13,24H,3-4,9-12,14H2;1H