4-[2-(4-methylphenyl)sulfanylethyl]piperazin-4-ium-2-one

Systemtic Name: 4-[2-(4-methylphenyl)sulfanylethyl]piperazin-4-ium-2-one Openeye Name: 4-[2-(p-tolylsulfanyl)ethyl]piperazin-4-ium-2-one CAS Name: 4-[2-[(4-methylphenyl)thio]ethyl]-2-piperazin-4-iumone IUPAC Name: 4-[2-(4-methylphenyl)sulfanylethyl]piperazin-4-ium-2-one Traditional Name: 4-[2-(p-tolylthio)ethyl]piperazin-4-ium-2-one Formula: C13H19N2OS+ MolecularWeight: 251.36776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC[NH+]2CCNC(=O)C2

Isomeric SMILES

CC1=CC=C(C=C1)SCC[NH+]2CCNC(=O)C2

InChI

InChI=1S/C13H18N2OS/c1-11-2-4-12(5-3-11)17-9-8-15-7-6-14-13(16)10-15/h2-5H,6-10H2,1H3,(H,14,16)/p+1