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

Systemtic Name: 2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-thiophen-2-yl-ethanone bromide Openeye Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(2-thienyl)ethanone bromide CAS Name: 2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]-1-thiophen-2-ylethanone bromide IUPAC Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-thiophen-2-ylethanone bromide Traditional Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(2-thienyl)ethanone bromide Formula: C20H25BrN4OS MolecularWeight: 449.4077

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=CS4.[Br-]

Isomeric SMILES

C1CC[NH+](CC1)CCN2C3=CC=CC=C3N(C2=N)CC(=O)C4=CC=CS4.[Br-]

InChI

InChI=1S/C20H24N4OS.BrH/c21-20-23(13-12-22-10-4-1-5-11-22)16-7-2-3-8-17(16)24(20)15-18(25)19-9-6-14-26-19;/h2-3,6-9,14,21H,1,4-5,10-13,15H2;1H