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

Systemtic Name: 1-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazine; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]-4-phenyl-piperazine CAS Name: 2-hydroxy-2-oxoacetate; 1-[1-[(4-nitrophenyl)methyl]-4-piperidin-1-iumyl]-4-phenylpiperazine IUPAC Name: 2-hydroxy-2-oxoacetate; 1-[1-[(4-nitrophenyl)methyl]piperidin-1-ium-4-yl]-4-phenylpiperazine Traditional Name: 1-[1-(4-nitrobenzyl)piperidin-1-ium-4-yl]-4-phenyl-piperazine binoxalate Formula: C24H30N4O6 MolecularWeight: 470.5182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N4O2.C2H2O4/c27-26(28)22-8-6-19(7-9-22)18-23-12-10-21(11-13-23)25-16-14-24(15-17-25)20-4-2-1-3-5-20;3-1(4)2(5)6/h1-9,21H,10-18H2;(H,3,4)(H,5,6)