1-methyl-4-(6-prop-2-enylsulfanylpyridin-3-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(6-prop-2-enylsulfanylpyridin-3-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(6-allylsulfanyl-3-pyridyl)sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-[[6-(prop-2-enylthio)-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-(6-prop-2-enylsulfanylpyridin-3-yl)sulfonylpiperazin-1-ium Traditional Name: 1-[[6-(allylthio)-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C13H20N3O2S2+ MolecularWeight: 314.4468

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC=C

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC=C

InChI

InChI=1S/C13H19N3O2S2/c1-3-10-19-13-5-4-12(11-14-13)20(17,18)16-8-6-15(2)7-9-16/h3-5,11H,1,6-10H2,2H3/p+1