1-methyl-4-[6-(2-methylprop-2-enylsulfanyl)pyridin-3-yl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-[6-(2-methylprop-2-enylsulfanyl)pyridin-3-yl]sulfonyl-piperazin-1-ium Openeye Name: 1-methyl-4-[[6-(2-methylallylsulfanyl)-3-pyridyl]sulfonyl]piperazin-1-ium CAS Name: 1-methyl-4-[[6-(2-methylprop-2-enylthio)-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-[6-(2-methylprop-2-enylsulfanyl)pyridin-3-yl]sulfonylpiperazin-1-ium Traditional Name: 1-methyl-4-[[6-(2-methylallylthio)-3-pyridyl]sulfonyl]piperazin-1-ium Formula: C14H22N3O2S2+ MolecularWeight: 328.47338

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)CSC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC(=C)CSC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C14H21N3O2S2/c1-12(2)11-20-14-5-4-13(10-15-14)21(18,19)17-8-6-16(3)7-9-17/h4-5,10H,1,6-9,11H2,2-3H3/p+1