1-ethylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium

Systemtic Name: 1-ethylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Openeye Name: 1-ethylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium CAS Name: 1-ethylsulfonyl-4-[[4-(methylthio)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-ethylsulfonyl-4-[(4-methylsulfanylphenyl)methyl]piperazin-4-ium Traditional Name: 1-esyl-4-[4-(methylthio)benzyl]piperazin-4-ium Formula: C14H23N2O2S2+ MolecularWeight: 315.47462

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)SC

Isomeric SMILES

CCS(=O)(=O)N1CC[NH+](CC1)CC2=CC=C(C=C2)SC

InChI

InChI=1S/C14H22N2O2S2/c1-3-20(17,18)16-10-8-15(9-11-16)12-13-4-6-14(19-2)7-5-13/h4-7H,3,8-12H2,1-2H3/p+1