2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-thiophen-2-yl-ethanol chloride

Systemtic Name: 2-[2-azanylidene-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-thiophen-2-yl-ethanol chloride Openeye Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(2-thienyl)ethanol chloride CAS Name: 2-[2-imino-3-[2-(1-piperidin-1-iumyl)ethyl]-1-benzimidazolyl]-1-thiophen-2-ylethanol chloride IUPAC Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-thiophen-2-ylethanol chloride Traditional Name: 2-[2-imino-3-(2-piperidin-1-ium-1-ylethyl)benzimidazol-1-yl]-1-(2-thienyl)ethanol chloride Formula: C20H27ClN4OS MolecularWeight: 406.97258

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4OS.ClH/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;/h2-3,6-9,14,18,21,25H,1,4-5,10-13,15H2;1H