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

Systemtic Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(1H-benzimidazol-2-ylsulfanyl)ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(1H-benzimidazol-2-ylsulfanyl)ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazin-4-iumyl]-2-(1H-benzimidazol-2-ylthio)ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(1H-benzimidazol-2-ylsulfanyl)ethanone Traditional Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(1H-benzimidazol-2-ylthio)ethanone Formula: C23H31N4OS+ MolecularWeight: 411.58344

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CSC5=NC6=CC=CC=C6N5

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CSC5=NC6=CC=CC=C6N5

InChI

InChI=1S/C23H30N4OS/c28-21(15-29-22-24-19-3-1-2-4-20(19)25-22)26-5-7-27(8-6-26)23-12-16-9-17(13-23)11-18(10-16)14-23/h1-4,16-18H,5-15H2,(H,24,25)/p+1