1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-quinolin-8-ylsulfanyl-ethanone

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-quinolin-8-ylsulfanyl-ethanone Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-(8-quinolylsulfanyl)ethanone CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-(8-quinolinylthio)ethanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-quinolin-8-ylsulfanylethanone Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-2-(8-quinolylthio)ethanone Formula: C20H21N4OS+ MolecularWeight: 365.47194

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=CC=CC4=C3N=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=CC=CC4=C3N=CC=C4

InChI

InChI=1S/C20H20N4OS/c25-19(15-26-17-7-3-5-16-6-4-10-22-20(16)17)24-13-11-23(12-14-24)18-8-1-2-9-21-18/h1-10H,11-15H2/p+1