1-[2-(4-methylphenyl)sulfanylethyl]-4-(phenylsulfonyl)piperazin-1-ium

Systemtic Name: 1-[2-(4-methylphenyl)sulfanylethyl]-4-(phenylsulfonyl)piperazin-1-ium Openeye Name: 1-(benzenesulfonyl)-4-[2-(p-tolylsulfanyl)ethyl]piperazin-4-ium CAS Name: 1-(benzenesulfonyl)-4-[2-[(4-methylphenyl)thio]ethyl]piperazin-4-ium IUPAC Name: 1-(benzenesulfonyl)-4-[2-(4-methylphenyl)sulfanylethyl]piperazin-4-ium Traditional Name: 1-besyl-4-[2-(p-tolylthio)ethyl]piperazin-4-ium Formula: C19H25N2O2S2+ MolecularWeight: 377.544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)SCC[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H24N2O2S2/c1-17-7-9-18(10-8-17)24-16-15-20-11-13-21(14-12-20)25(22,23)19-5-3-2-4-6-19/h2-10H,11-16H2,1H3/p+1