1-methyl-4-(6-propan-2-ylsulfanylpyridin-3-yl)sulfonyl-piperazin-1-ium

Systemtic Name: 1-methyl-4-(6-propan-2-ylsulfanylpyridin-3-yl)sulfonyl-piperazin-1-ium Openeye Name: 1-[(6-isopropylsulfanyl-3-pyridyl)sulfonyl]-4-methyl-piperazin-4-ium CAS Name: 1-methyl-4-[[6-(propan-2-ylthio)-3-pyridinyl]sulfonyl]piperazin-1-ium IUPAC Name: 1-methyl-4-(6-propan-2-ylsulfanylpyridin-3-yl)sulfonylpiperazin-1-ium Traditional Name: 1-[[6-(isopropylthio)-3-pyridyl]sulfonyl]-4-methyl-piperazin-4-ium Formula: C13H22N3O2S2+ MolecularWeight: 316.46268

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)SC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

Isomeric SMILES

CC(C)SC1=NC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C

InChI

InChI=1S/C13H21N3O2S2/c1-11(2)19-13-5-4-12(10-14-13)20(17,18)16-8-6-15(3)7-9-16/h4-5,10-11H,6-9H2,1-3H3/p+1