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

Systemtic Name: 2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(3,4-dichlorophenyl)ethanone bromide Openeye Name: 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone bromide CAS Name: 1-(3,4-dichlorophenyl)-2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]ethanone bromide IUPAC Name: 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone bromide Traditional Name: 1-(3,4-dichlorophenyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone bromide Formula: C22H25BrCl2N4O MolecularWeight: 512.2701

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=C(C=C4)Cl)Cl.[Br-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC(=C(C=C4)Cl)Cl.[Br-]

InChI

InChI=1S/C22H24Cl2N4O.BrH/c23-17-9-8-16(14-18(17)24)21(29)15-28-20-7-3-2-6-19(20)27(22(28)25)13-12-26-10-4-1-5-11-26;/h2-3,6-9,14,25H,1,4-5,10-13,15H2;1H