2-[(4-methylphenyl)methylsulfanyl]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide

Systemtic Name: 2-[(4-methylphenyl)methylsulfanyl]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]ethanamide Openeye Name: N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]-2-(p-tolylmethylsulfanyl)acetamide CAS Name: 2-[(4-methylphenyl)methylthio]-N-[6-(4-methyl-1-piperazin-4-iumyl)-3-pyridinyl]acetamide IUPAC Name: 2-[(4-methylphenyl)methylsulfanyl]-N-[6-(4-methylpiperazin-4-ium-1-yl)pyridin-3-yl]acetamide Traditional Name: 2-[(4-methylbenzyl)thio]-N-[6-(4-methylpiperazin-4-ium-1-yl)-3-pyridyl]acetamide Formula: C20H27N4OS+ MolecularWeight: 371.51958

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4OS/c1-16-3-5-17(6-4-16)14-26-15-20(25)22-18-7-8-19(21-13-18)24-11-9-23(2)10-12-24/h3-8,13H,9-12,14-15H2,1-2H3,(H,22,25)/p+1