2-oxidanylidene-2-[4-[(2R)-2-oxidanyl-3-sulfonato-propyl]piperazin-4-ium-1-yl]ethanoate

Systemtic Name: 2-oxidanylidene-2-[4-[(2R)-2-oxidanyl-3-sulfonato-propyl]piperazin-4-ium-1-yl]ethanoate Openeye Name: 2-[4-[(2R)-2-hydroxy-3-sulfonato-propyl]piperazin-4-ium-1-yl]-2-oxo-acetate CAS Name: 2-[4-[(2R)-2-hydroxy-3-sulfonatopropyl]-1-piperazin-4-iumyl]-2-oxoacetate IUPAC Name: 2-[4-[(2R)-2-hydroxy-3-sulfonatopropyl]piperazin-4-ium-1-yl]-2-oxoacetate Traditional Name: 2-[4-[(2R)-2-hydroxy-3-sulfonato-propyl]piperazin-4-ium-1-yl]-2-keto-acetate Formula: C9H15N2O7S- MolecularWeight: 295.2896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H16N2O7S/c12-7(6-19(16,17)18)5-10-1-3-11(4-2-10)8(13)9(14)15/h7,12H,1-6H2,(H,14,15)(H,16,17,18)/p-1/t7-/m1/s1