2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(1H-benzimidazol-2-ylsulfanyl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(1H-benzimidazol-2-ylsulfanyl)ethanone CAS Name: 2-(1H-benzimidazol-2-ylthio)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(1H-benzimidazol-2-ylsulfanyl)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(1H-benzimidazol-2-ylthio)ethanone Formula: C26H27N4OS+ MolecularWeight: 443.58378

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C26H26N4OS/c31-24(19-32-26-27-22-13-7-8-14-23(22)28-26)29-15-17-30(18-16-29)25(20-9-3-1-4-10-20)21-11-5-2-6-12-21/h1-14,25H,15-19H2,(H,27,28)/p+1