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

Systemtic Name: 1-ethyl-4-(4-methylsulfanylphenyl)sulfonyl-piperazin-1-ium Openeye Name: 1-ethyl-4-(4-methylsulfanylphenyl)sulfonyl-piperazin-1-ium CAS Name: 1-ethyl-4-[4-(methylthio)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-ethyl-4-(4-methylsulfanylphenyl)sulfonylpiperazin-1-ium Traditional Name: 1-ethyl-4-[4-(methylthio)phenyl]sulfonyl-piperazin-1-ium Formula: C13H21N2O2S2+ MolecularWeight: 301.44804

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O2S2/c1-3-14-8-10-15(11-9-14)19(16,17)13-6-4-12(18-2)5-7-13/h4-7H,3,8-11H2,1-2H3/p+1