1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylpropan-2-one

Systemtic Name: 1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylpropan-2-one Openeye Name: 1-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]sulfanyl]propan-2-one CAS Name: 1-[[5-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]-2-pyridinyl]thio]-2-propanone IUPAC Name: 1-[5-(4-methylpiperazin-4-ium-1-yl)sulfonylpyridin-2-yl]sulfanylpropan-2-one Traditional Name: 1-[[5-(4-methylpiperazin-4-ium-1-yl)sulfonyl-2-pyridyl]thio]acetone Formula: C13H20N3O3S2+ MolecularWeight: 330.4462

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H19N3O3S2/c1-11(17)10-20-13-4-3-12(9-14-13)21(18,19)16-7-5-15(2)6-8-16/h3-4,9H,5-8,10H2,1-2H3/p+1