1-[4-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 1-[4-[(2-chloranyl-7-methylsulfanyl-quinolin-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 1-[4-[(2-chloro-7-methylsulfanyl-3-quinolyl)methyl]piperazin-4-ium-1-yl]ethanone CAS Name: 1-[4-[[2-chloro-7-(methylthio)-3-quinolinyl]methyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 1-[4-[(2-chloro-7-methylsulfanylquinolin-3-yl)methyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 1-[4-[[2-chloro-7-(methylthio)-3-quinolyl]methyl]piperazin-4-ium-1-yl]ethanone Formula: C17H21ClN3OS+ MolecularWeight: 350.88614

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CC[NH+](CC1)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

Isomeric SMILES

CC(=O)N1CC[NH+](CC1)CC2=C(N=C3C=C(C=CC3=C2)SC)Cl

InChI

InChI=1S/C17H20ClN3OS/c1-12(22)21-7-5-20(6-8-21)11-14-9-13-3-4-15(23-2)10-16(13)19-17(14)18/h3-4,9-10H,5-8,11H2,1-2H3/p+1