3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzenecarbothioamide

Systemtic Name: 3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzenecarbothioamide Openeye Name: 3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzenecarbothioamide CAS Name: 3-[(4-methyl-1-piperazin-4-iumyl)methyl]benzenecarbothioamide IUPAC Name: 3-[(4-methylpiperazin-4-ium-1-yl)methyl]benzenecarbothioamide Traditional Name: 3-[(4-methylpiperazin-4-ium-1-yl)methyl]thiobenzamide Formula: C13H20N3S+ MolecularWeight: 250.383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)CC2=CC=CC(=C2)C(=S)N

Isomeric SMILES

C[NH+]1CCN(CC1)CC2=CC=CC(=C2)C(=S)N

InChI

InChI=1S/C13H19N3S/c1-15-5-7-16(8-6-15)10-11-3-2-4-12(9-11)13(14)17/h2-4,9H,5-8,10H2,1H3,(H2,14,17)/p+1