2-(2,4-dimethylphenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-(2,4-dimethylphenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide Openeye Name: 2-(2,4-dimethylphenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide CAS Name: 2-[(2,4-dimethylphenyl)thio]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]acetamide IUPAC Name: 2-(2,4-dimethylphenyl)sulfanyl-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-[(2,4-dimethylphenyl)thio]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide Formula: C20H27N4OS+ MolecularWeight: 371.51958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)SCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)SCC(=O)NC2=CN=C(C=C2)N3CC[NH+](CC3)C)C

InChI

InChI=1S/C20H26N4OS/c1-15-4-6-18(16(2)12-15)26-14-20(25)22-17-5-7-19(21-13-17)24-10-8-23(3)9-11-24/h4-7,12-13H,8-11,14H2,1-3H3,(H,22,25)/p+1