2-[4-[2-(3-oxidanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanesulfonate

Systemtic Name: 2-[4-[2-(3-oxidanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]ethanesulfonate Openeye Name: 2-[4-[2-(3-hydroxyphenoxy)acetyl]piperazin-1-ium-1-yl]ethanesulfonate CAS Name: 2-[4-[2-(3-hydroxyphenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]ethanesulfonate IUPAC Name: 2-[4-[2-(3-hydroxyphenoxy)acetyl]piperazin-1-ium-1-yl]ethanesulfonate Traditional Name: 2-[4-[2-(3-hydroxyphenoxy)acetyl]piperazin-1-ium-1-yl]ethanesulfonate Formula: C14H20N2O6S MolecularWeight: 344.3834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H20N2O6S/c17-12-2-1-3-13(10-12)22-11-14(18)16-6-4-15(5-7-16)8-9-23(19,20)21/h1-3,10,17H,4-9,11H2,(H,19,20,21)