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

Systemtic Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-pyridin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(2-pyridylsulfanyl)ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazin-4-iumyl]-2-(2-pyridinylthio)ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-pyridin-2-ylsulfanylethanone Traditional Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(2-pyridylthio)ethanone Formula: C21H30N3OS+ MolecularWeight: 372.5474

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CSC5=CC=CC=N5

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CSC5=CC=CC=N5

InChI

InChI=1S/C21H29N3OS/c25-20(15-26-19-3-1-2-4-22-19)23-5-7-24(8-6-23)21-12-16-9-17(13-21)11-18(10-16)14-21/h1-4,16-18H,5-15H2/p+1