3-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]propanoate

Systemtic Name: 3-[4-[4-(trifluoromethyloxy)phenyl]sulfonylpiperazin-1-ium-1-yl]propanoate Openeye Name: 3-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]propanoate CAS Name: 3-[4-[4-(trifluoromethoxy)phenyl]sulfonyl-1-piperazin-1-iumyl]propanoate IUPAC Name: 3-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]propanoate Traditional Name: 3-[4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium-1-yl]propionate Formula: C14H17F3N2O5S MolecularWeight: 382.35539

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC(=O)[O-])S(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C14H17F3N2O5S/c15-14(16,17)24-11-1-3-12(4-2-11)25(22,23)19-9-7-18(8-10-19)6-5-13(20)21/h1-4H,5-10H2,(H,20,21)