2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; 3-[3-(4-methylpiperazin-1-ium-1-yl)-2-oxidanyl-propyl]sulfanylpropane-1,2-diol

Systemtic Name: 2,4-bis(oxidanyl)-4-oxidanylidene-butanoate; 3-[3-(4-methylpiperazin-1-ium-1-yl)-2-oxidanyl-propyl]sulfanylpropane-1,2-diol Openeye Name: 2,4-dihydroxy-4-oxo-butanoate; 3-[2-hydroxy-3-(4-methylpiperazin-1-ium-1-yl)propyl]sulfanylpropane-1,2-diol CAS Name: 2,4-dihydroxy-4-oxobutanoate; 3-[[2-hydroxy-3-(4-methyl-1-piperazin-1-iumyl)propyl]thio]propane-1,2-diol IUPAC Name: 2,4-dihydroxy-4-oxobutanoate; 3-[2-hydroxy-3-(4-methylpiperazin-1-ium-1-yl)propyl]sulfanylpropane-1,2-diol Traditional Name: 2,4-dihydroxy-4-keto-butyrate; 3-[[2-hydroxy-3-(4-methylpiperazin-1-ium-1-yl)propyl]thio]propane-1,2-diol Formula: C15H30N2O8S MolecularWeight: 398.4723

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC[NH+](CC1)CC(CSCC(CO)O)O.C(C(C(=O)[O-])O)C(=O)O

Isomeric SMILES

CN1CC[NH+](CC1)CC(CSCC(CO)O)O.C(C(C(=O)[O-])O)C(=O)O

InChI

InChI=1S/C11H24N2O3S.C4H6O5/c1-12-2-4-13(5-3-12)6-10(15)8-17-9-11(16)7-14;5-2(4(8)9)1-3(6)7/h10-11,14-16H,2-9H2,1H3;2,5H,1H2,(H,6,7)(H,8,9)