N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide

Systemtic Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)ethanamide Openeye Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide CAS Name: N-[2-(cyanomethylthio)phenyl]-2-(4-methyl-1-piperazine-1,4-diiumyl)acetamide IUPAC Name: N-[2-(cyanomethylsulfanyl)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Traditional Name: N-[2-(cyanomethylthio)phenyl]-2-(4-methylpiperazine-1,4-diium-1-yl)acetamide Formula: C15H22N4OS+2 MolecularWeight: 306.42638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SCC#N

Isomeric SMILES

C[NH+]1CC[NH+](CC1)CC(=O)NC2=CC=CC=C2SCC#N

InChI

InChI=1S/C15H20N4OS/c1-18-7-9-19(10-8-18)12-15(20)17-13-4-2-3-5-14(13)21-11-6-16/h2-5H,7-12H2,1H3,(H,17,20)/p+2