(2R)-3-(4-carbamothioylpiperazin-1-ium-1-yl)-2-oxidanyl-propane-1-sulfonate

Systemtic Name: (2R)-3-(4-carbamothioylpiperazin-1-ium-1-yl)-2-oxidanyl-propane-1-sulfonate Openeye Name: (2R)-3-(4-carbamothioylpiperazin-1-ium-1-yl)-2-hydroxy-propane-1-sulfonate CAS Name: (2R)-3-(4-carbamothioyl-1-piperazin-1-iumyl)-2-hydroxy-1-propanesulfonate IUPAC Name: (2R)-3-(4-carbamothioylpiperazin-1-ium-1-yl)-2-hydroxypropane-1-sulfonate Traditional Name: (2R)-2-hydroxy-3-(4-thiocarbamoylpiperazin-1-ium-1-yl)propane-1-sulfonate Formula: C8H17N3O4S2 MolecularWeight: 283.36828

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CS(=O)(=O)[O-])O)C(=S)N

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](CS(=O)(=O)[O-])O)C(=S)N

InChI

InChI=1S/C8H17N3O4S2/c9-8(16)11-3-1-10(2-4-11)5-7(12)6-17(13,14)15/h7,12H,1-6H2,(H2,9,16)(H,13,14,15)/t7-/m1/s1