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

Systemtic Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[4-(1-adamantyl)-1-piperazin-4-iumyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-[4-(1-adamantyl)piperazin-4-ium-1-yl]-2-(2-quinolylthio)ethanone Formula: C25H32N3OS+ MolecularWeight: 422.60608

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CSC5=NC6=CC=CC=C6C=C5

Isomeric SMILES

C1CN(CC[NH+]1C23CC4CC(C2)CC(C4)C3)C(=O)CSC5=NC6=CC=CC=C6C=C5

InChI

InChI=1S/C25H31N3OS/c29-24(17-30-23-6-5-21-3-1-2-4-22(21)26-23)27-7-9-28(10-8-27)25-14-18-11-19(15-25)13-20(12-18)16-25/h1-6,18-20H,7-17H2/p+1