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

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-quinolin-8-ylsulfanyl-ethanone Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(8-quinolylsulfanyl)ethanone CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-2-(8-quinolinylthio)ethanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-quinolin-8-ylsulfanylethanone Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(8-quinolylthio)ethanone Formula: C16H20N3OS+ MolecularWeight: 302.4145

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC3=C2N=CC=C3

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)CSC2=CC=CC3=C2N=CC=C3

InChI

InChI=1S/C16H19N3OS/c1-18-8-10-19(11-9-18)15(20)12-21-14-6-2-4-13-5-3-7-17-16(13)14/h2-7H,8-12H2,1H3/p+1