2-(hydroxymethyl)-4-methyl-4-oxidanidyl-5-oxidanyl-2-(4H-pyran-2-ylmethyl)piperazin-4-ium-1-carbodithioate

Systemtic Name: 2-(hydroxymethyl)-4-methyl-4-oxidanidyl-5-oxidanyl-2-(4H-pyran-2-ylmethyl)piperazin-4-ium-1-carbodithioate Openeye Name: 5-hydroxy-2-(hydroxymethyl)-4-methyl-4-oxido-2-(4H-pyran-2-ylmethyl)piperazin-4-ium-1-carbodithioate CAS Name: 5-hydroxy-2-(hydroxymethyl)-4-methyl-4-oxido-2-(4H-pyran-2-ylmethyl)-1-piperazin-4-iumcarbodithioate IUPAC Name: 5-hydroxy-2-(hydroxymethyl)-4-methyl-4-oxido-2-(4H-pyran-2-ylmethyl)piperazin-4-ium-1-carbodithioate Traditional Name: 5-hydroxy-4-methyl-2-methylol-4-oxido-2-(4H-pyran-2-ylmethyl)piperazin-4-ium-1-carbodithioate Formula: C13H19N2O4S2- MolecularWeight: 331.43096

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CC(N(CC1O)C(=S)[S-])(CC2=CCC=CO2)CO)[O-]

Isomeric SMILES

C[N+]1(CC(N(CC1O)C(=S)[S-])(CC2=CCC=CO2)CO)[O-]

InChI

InChI=1S/C13H20N2O4S2/c1-15(18)8-13(9-16,6-10-4-2-3-5-19-10)14(12(20)21)7-11(15)17/h3-5,11,16-17H,2,6-9H2,1H3,(H,20,21)/p-1