2-oxidanyl-2-oxidanylidene-ethanoate; 1-(pyridin-2-ylmethyl)piperazine-1,4-diium

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 1-(pyridin-2-ylmethyl)piperazine-1,4-diium Openeye Name: 2-hydroxy-2-oxo-acetate; 1-(2-pyridylmethyl)piperazine-1,4-diium CAS Name: 2-hydroxy-2-oxoacetate; 1-(2-pyridinylmethyl)piperazine-1,4-diium IUPAC Name: 2-hydroxy-2-oxoacetate; 1-(pyridin-2-ylmethyl)piperazine-1,4-diium Traditional Name: 1-(2-pyridylmethyl)piperazine-1,4-diium dibinoxalate Formula: C14H19N3O8 MolecularWeight: 357.31596

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH2+]1)CC2=CC=CC=N2.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1C[NH+](CC[NH2+]1)CC2=CC=CC=N2.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C10H15N3.2C2H2O4/c1-2-4-12-10(3-1)9-13-7-5-11-6-8-13;2*3-1(4)2(5)6/h1-4,11H,5-9H2;2*(H,3,4)(H,5,6)