1-(4-methylpiperazin-4-ium-1-yl)-2-(3-methylquinoxalin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(3-methylquinoxalin-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(3-methylquinoxalin-2-yl)sulfanyl-ethanone CAS Name: 1-(4-methyl-1-piperazin-4-iumyl)-2-[(3-methyl-2-quinoxalinyl)thio]ethanone IUPAC Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(3-methylquinoxalin-2-yl)sulfanylethanone Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-[(3-methylquinoxalin-2-yl)thio]ethanone Formula: C16H21N4OS+ MolecularWeight: 317.42914

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=NC2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)C

InChI

InChI=1S/C16H20N4OS/c1-12-16(18-14-6-4-3-5-13(14)17-12)22-11-15(21)20-9-7-19(2)8-10-20/h3-6H,7-11H2,1-2H3/p+1