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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

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