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

Systemtic Name: 3-[4-[(2R)-2-oxidanyl-3-sulfonato-propyl]piperazin-4-ium-1-yl]carbonylbenzoate Openeye Name: 3-[4-[(2R)-2-hydroxy-3-sulfonato-propyl]piperazin-4-ium-1-carbonyl]benzoate CAS Name: 3-[[4-[(2R)-2-hydroxy-3-sulfonatopropyl]-1-piperazin-4-iumyl]-oxomethyl]benzoate IUPAC Name: 3-[4-[(2R)-2-hydroxy-3-sulfonatopropyl]piperazin-4-ium-1-carbonyl]benzoate Traditional Name: 3-[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=C2)C(=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O7S/c18-13(10-25(22,23)24)9-16-4-6-17(7-5-16)14(19)11-2-1-3-12(8-11)15(20)21/h1-3,8,13,18H,4-7,9-10H2,(H,20,21)(H,22,23,24)/p-1/t13-/m1/s1