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

Systemtic Name: 4-oxidanylidene-4-[4-[(2R)-2-oxidanyl-3-sulfonato-propyl]piperazin-4-ium-1-yl]butanoate Openeye Name: 4-[4-[(2R)-2-hydroxy-3-sulfonato-propyl]piperazin-4-ium-1-yl]-4-oxo-butanoate CAS Name: 4-[4-[(2R)-2-hydroxy-3-sulfonatopropyl]-1-piperazin-4-iumyl]-4-oxobutanoate IUPAC Name: 4-[4-[(2R)-2-hydroxy-3-sulfonatopropyl]piperazin-4-ium-1-yl]-4-oxobutanoate Traditional Name: 4-[4-[(2R)-2-hydroxy-3-sulfonato-propyl]piperazin-4-ium-1-yl]-4-keto-butyrate Formula: C11H19N2O7S- MolecularWeight: 323.34276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H20N2O7S/c14-9(8-21(18,19)20)7-12-3-5-13(6-4-12)10(15)1-2-11(16)17/h9,14H,1-8H2,(H,16,17)(H,18,19,20)/p-1/t9-/m1/s1