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

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-1-[4-(diphenylmethyl)piperazin-4-ium-1-yl]ethanone Openeye Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(1H-benzimidazol-2-ylmethylsulfanyl)ethanone CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-1-[4-(diphenylmethyl)-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(1H-benzimidazol-2-ylmethylsulfanyl)ethanone Traditional Name: 1-(4-benzhydrylpiperazin-4-ium-1-yl)-2-(1H-benzimidazol-2-ylmethylthio)ethanone Formula: C27H29N4OS+ MolecularWeight: 457.61036

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSCC4=NC5=CC=CC=C5N4

Isomeric SMILES

C1CN(CC[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)CSCC4=NC5=CC=CC=C5N4

InChI

InChI=1S/C27H28N4OS/c32-26(20-33-19-25-28-23-13-7-8-14-24(23)29-25)30-15-17-31(18-16-30)27(21-9-3-1-4-10-21)22-11-5-2-6-12-22/h1-14,27H,15-20H2,(H,28,29)/p+1