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

Systemtic Name: 2-(hydroxymethyl)-4-methyl-4-oxidanidyl-5-oxidanyl-2-(4H-pyran-2-ylmethyl)piperazin-4-ium-1-carbodithioate hydrochloride Openeye Name: 5-hydroxy-2-(hydroxymethyl)-4-methyl-4-oxido-2-(4H-pyran-2-ylmethyl)piperazin-4-ium-1-carbodithioate hydrochloride CAS Name: 5-hydroxy-2-(hydroxymethyl)-4-methyl-4-oxido-2-(4H-pyran-2-ylmethyl)-1-piperazin-4-iumcarbodithioate hydrochloride IUPAC Name: 5-hydroxy-2-(hydroxymethyl)-4-methyl-4-oxido-2-(4H-pyran-2-ylmethyl)piperazin-4-ium-1-carbodithioate hydrochloride Traditional Name: 5-hydroxy-4-methyl-2-methylol-4-oxido-2-(4H-pyran-2-ylmethyl)piperazin-4-ium-1-carbodithioate hydrochloride Formula: C13H20ClN2O4S2- MolecularWeight: 367.8919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H20N2O4S2.ClH/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);1H/p-1