2-[4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazin-1-yl]ethanol; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-[4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazin-1-yl]ethanol; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 2-[4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazin-1-yl]ethanol CAS Name: 2-hydroxy-2-oxoacetate; 2-[4-[1-[(3-nitrophenyl)methyl]-4-piperidin-1-iumyl]-1-piperazinyl]ethanol IUPAC Name: 2-hydroxy-2-oxoacetate; 2-[4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]piperazin-1-yl]ethanol Traditional Name: 2-[4-[1-(3-nitrobenzyl)piperidin-1-ium-4-yl]piperazino]ethanol binoxalate Formula: C20H30N4O7 MolecularWeight: 438.4748

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCN(CC2)CCO)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

C1C[NH+](CCC1N2CCN(CC2)CCO)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H28N4O3.C2H2O4/c23-13-12-19-8-10-21(11-9-19)17-4-6-20(7-5-17)15-16-2-1-3-18(14-16)22(24)25;3-1(4)2(5)6/h1-3,14,17,23H,4-13,15H2;(H,3,4)(H,5,6)