2-(4-methylphenyl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone

Systemtic Name: 2-(4-methylphenyl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Openeye Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolylsulfanyl)ethanone CAS Name: 2-[(4-methylphenyl)thio]-1-(4-methyl-1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4-methylphenyl)sulfanyl-1-(4-methylpiperazin-4-ium-1-yl)ethanone Traditional Name: 1-(4-methylpiperazin-4-ium-1-yl)-2-(p-tolylthio)ethanone Formula: C14H21N2OS+ MolecularWeight: 265.39434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC1=CC=C(C=C1)SCC(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C14H20N2OS/c1-12-3-5-13(6-4-12)18-11-14(17)16-9-7-15(2)8-10-16/h3-6H,7-11H2,1-2H3/p+1