1-(4-fluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(4-fluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-(4-fluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-(4-fluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-(4-fluorophenyl)sulfonyl-4-[(2-nitrophenyl)methyl]piperazin-4-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-(4-fluorophenyl)sulfonyl-4-(2-nitrobenzyl)piperazin-4-ium binoxalate Formula: C19H20FN3O8S MolecularWeight: 469.440803

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2[N+](=O)[O-])S(=O)(=O)C3=CC=C(C=C3)F.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C17H18FN3O4S.C2H2O4/c18-15-5-7-16(8-6-15)26(24,25)20-11-9-19(10-12-20)13-14-3-1-2-4-17(14)21(22)23;3-1(4)2(5)6/h1-8H,9-13H2;(H,3,4)(H,5,6)