(2R)-2-oxidanyl-3-[4-[2-(4-oxidanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]propane-1-sulfonate

Systemtic Name: (2R)-2-oxidanyl-3-[4-[2-(4-oxidanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]propane-1-sulfonate Openeye Name: (2R)-2-hydroxy-3-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-ium-1-yl]propane-1-sulfonate CAS Name: (2R)-2-hydroxy-3-[4-[2-(4-hydroxyphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-1-propanesulfonate IUPAC Name: (2R)-2-hydroxy-3-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-ium-1-yl]propane-1-sulfonate Traditional Name: (2R)-2-hydroxy-3-[4-[2-(4-hydroxyphenoxy)acetyl]piperazin-1-ium-1-yl]propane-1-sulfonate Formula: C15H22N2O7S MolecularWeight: 374.40938

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(CS(=O)(=O)[O-])O)C(=O)COC2=CC=C(C=C2)O

Isomeric SMILES

C1CN(CC[NH+]1C[C@H](CS(=O)(=O)[O-])O)C(=O)COC2=CC=C(C=C2)O

InChI

InChI=1S/C15H22N2O7S/c18-12-1-3-14(4-2-12)24-10-15(20)17-7-5-16(6-8-17)9-13(19)11-25(21,22)23/h1-4,13,18-19H,5-11H2,(H,21,22,23)/t13-/m1/s1