2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(5-bromanylthiophen-2-yl)ethanone bromide

Systemtic Name: 2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(5-bromanylthiophen-2-yl)ethanone bromide Openeye Name: 1-(5-bromo-2-thienyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone bromide CAS Name: 1-(5-bromo-2-thiophenyl)-2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]ethanone bromide IUPAC Name: 1-(5-bromothiophen-2-yl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone bromide Traditional Name: 1-(5-bromo-2-thienyl)-2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]ethanone bromide Formula: C20H24Br2N4OS MolecularWeight: 528.30376

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=C(S4)Br.[Br-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=C(S4)Br.[Br-]

InChI

InChI=1S/C20H23BrN4OS.BrH/c21-19-9-8-18(27-19)17(26)14-25-16-7-3-2-6-15(16)24(20(25)22)13-12-23-10-4-1-5-11-23;/h2-3,6-9,22H,1,4-5,10-14H2;1H