2-oxidanyl-2-oxidanylidene-ethanoate; pyridin-4-yl-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; pyridin-4-yl-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Openeye Name: 2-hydroxy-2-oxo-acetate; 4-pyridyl-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone CAS Name: 2-hydroxy-2-oxoacetate; pyridin-4-yl-[4-(pyridin-4-ylmethyl)-1-piperazin-4-iumyl]methanone IUPAC Name: 2-hydroxy-2-oxoacetate; pyridin-4-yl-[4-(pyridin-4-ylmethyl)piperazin-4-ium-1-yl]methanone Traditional Name: 4-pyridyl-[4-(4-pyridylmethyl)piperazin-4-ium-1-yl]methanone binoxalate Formula: C18H20N4O5 MolecularWeight: 372.3752

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC=NC=C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)C(=O)C3=CC=NC=C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C16H18N4O.C2H2O4/c21-16(15-3-7-18-8-4-15)20-11-9-19(10-12-20)13-14-1-5-17-6-2-14;3-1(4)2(5)6/h1-8H,9-13H2;(H,3,4)(H,5,6)