2-(2-methylphenyl)sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)ethanamide

Systemtic Name: 2-(2-methylphenyl)sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)ethanamide Openeye Name: N-(4-methylpiperazin-4-ium-1-yl)-2-(o-tolylsulfanyl)acetamide CAS Name: 2-[(2-methylphenyl)thio]-N-(4-methyl-1-piperazin-4-iumyl)acetamide IUPAC Name: 2-(2-methylphenyl)sulfanyl-N-(4-methylpiperazin-4-ium-1-yl)acetamide Traditional Name: N-(4-methylpiperazin-4-ium-1-yl)-2-(o-tolylthio)acetamide Formula: C14H22N3OS+ MolecularWeight: 280.40898

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1SCC(=O)NN2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=CC=C1SCC(=O)NN2CC[NH+](CC2)C

InChI

InChI=1S/C14H21N3OS/c1-12-5-3-4-6-13(12)19-11-14(18)15-17-9-7-16(2)8-10-17/h3-6H,7-11H2,1-2H3,(H,15,18)/p+1