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

Systemtic Name: 4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]morpholine; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]morpholine CAS Name: 2-hydroxy-2-oxoacetate; 4-[1-[(3-nitrophenyl)methyl]-4-piperidin-1-iumyl]morpholine IUPAC Name: 2-hydroxy-2-oxoacetate; 4-[1-[(3-nitrophenyl)methyl]piperidin-1-ium-4-yl]morpholine Traditional Name: 4-[1-(3-nitrobenzyl)piperidin-1-ium-4-yl]morpholine binoxalate Formula: C18H25N3O7 MolecularWeight: 395.407

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1N2CCOCC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

C1C[NH+](CCC1N2CCOCC2)CC3=CC(=CC=C3)[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C16H23N3O3.C2H2O4/c20-19(21)16-3-1-2-14(12-16)13-17-6-4-15(5-7-17)18-8-10-22-11-9-18;3-1(4)2(5)6/h1-3,12,15H,4-11,13H2;(H,3,4)(H,5,6)