1-methyl-4-(4-methylsulfanylphenyl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(4-methylsulfanylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-(4-methylsulfanylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-methyl-4-[4-(methylthio)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-methyl-4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[4-(methylthio)phenyl]sulfonyl-piperazin-1-ium Formula: C12H19N2O2S2+ MolecularWeight: 287.42146

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)SC

InChI

InChI=1S/C12H18N2O2S2/c1-13-7-9-14(10-8-13)18(15,16)12-5-3-11(17-2)4-6-12/h3-6H,7-10H2,1-2H3/p+1