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

Systemtic Name: 1-methyl-4-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]piperazin-1-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; 1-methyl-4-[1-[(2-nitrophenyl)methyl]-4-piperidyl]piperazin-1-ium CAS Name: 2-hydroxy-2-oxoacetate; 1-methyl-4-[1-[(2-nitrophenyl)methyl]-4-piperidinyl]piperazin-1-ium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-methyl-4-[1-[(2-nitrophenyl)methyl]piperidin-4-yl]piperazin-1-ium Traditional Name: 1-methyl-4-[1-(2-nitrobenzyl)-4-piperidyl]piperazin-1-ium binoxalate Formula: C19H28N4O6 MolecularWeight: 408.44882

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+]1CCN(CC1)C2CCN(CC2)CC3=CC=CC=C3[N+](=O)[O-].C(=O)(C(=O)[O-])O

InChI

InChI=1S/C17H26N4O2.C2H2O4/c1-18-10-12-20(13-11-18)16-6-8-19(9-7-16)14-15-4-2-3-5-17(15)21(22)23;3-1(4)2(5)6/h2-5,16H,6-14H2,1H3;(H,3,4)(H,5,6)