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

Systemtic Name: 1-[4-(phenylmethyl)piperazin-4-ium-1-yl]-2-quinolin-2-ylsulfanyl-ethanone Openeye Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-quinolylsulfanyl)ethanone CAS Name: 1-[4-(phenylmethyl)-1-piperazin-4-iumyl]-2-(2-quinolinylthio)ethanone IUPAC Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-quinolin-2-ylsulfanylethanone Traditional Name: 1-(4-benzylpiperazin-4-ium-1-yl)-2-(2-quinolylthio)ethanone Formula: C22H24N3OS+ MolecularWeight: 378.51046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C(=O)CSC3=NC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H23N3OS/c26-22(17-27-21-11-10-19-8-4-5-9-20(19)23-21)25-14-12-24(13-15-25)16-18-6-2-1-3-7-18/h1-11H,12-17H2/p+1