1-(4-nitrophenyl)sulfonyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(4-nitrophenyl)sulfonyl-4-[1-(phenylmethyl)piperidin-1-ium-4-yl]piperazine; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-nitrophenyl)sulfonyl-piperazine; 2-hydroxy-2-oxo-acetate CAS Name: 2-hydroxy-2-oxoacetate; 1-(4-nitrophenyl)sulfonyl-4-[1-(phenylmethyl)-4-piperidin-1-iumyl]piperazine IUPAC Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-(4-nitrophenyl)sulfonylpiperazine; 2-hydroxy-2-oxoacetate Traditional Name: 1-(1-benzylpiperidin-1-ium-4-yl)-4-nosyl-piperazine binoxalate Formula: C24H30N4O8S MolecularWeight: 534.582

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1C[NH+](CCC1N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H28N4O4S.C2H2O4/c27-26(28)21-6-8-22(9-7-21)31(29,30)25-16-14-24(15-17-25)20-10-12-23(13-11-20)18-19-4-2-1-3-5-19;3-1(4)2(5)6/h1-9,20H,10-18H2;(H,3,4)(H,5,6)