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

Systemtic Name: 2-[4-[(2R)-2-oxidanyl-3-sulfonato-propyl]piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: 2-[4-[(2R)-2-hydroxy-3-sulfonato-propyl]piperazin-4-ium-1-carbonyl]benzoate CAS Name: 2-[[4-[(2R)-2-hydroxy-3-sulfonatopropyl]-1-piperazin-4-iumyl]-oxomethyl]benzoate IUPAC Name: 2-[4-[(2R)-2-hydroxy-3-sulfonatopropyl]piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 2-[4-[(2R)-2-hydroxy-3-sulfonato-propyl]piperazin-4-ium-1-carbonyl]benzoate Formula: C15H19N2O7S- MolecularWeight: 371.38556

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CS(=O)(=O)[O-])O)C(=O)C2=CC=CC=C2C(=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](CS(=O)(=O)[O-])O)C(=O)C2=CC=CC=C2C(=O)[O-]

InChI

InChI=1S/C15H20N2O7S/c18-11(10-25(22,23)24)9-16-5-7-17(8-6-16)14(19)12-3-1-2-4-13(12)15(20)21/h1-4,11,18H,5-10H2,(H,20,21)(H,22,23,24)/p-1/t11-/m1/s1