2-oxidanyl-2-oxidanylidene-ethanoate; 3-(4-piperidin-1-ium-1-ylbut-2-ynoxy)-4,5-dihydro-1,2-oxazole

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 3-(4-piperidin-1-ium-1-ylbut-2-ynoxy)-4,5-dihydro-1,2-oxazole Openeye Name: 2-hydroxy-2-oxo-acetate; 3-(4-piperidin-1-ium-1-ylbut-2-ynoxy)-4,5-dihydroisoxazole CAS Name: 2-hydroxy-2-oxoacetate; 3-[4-(1-piperidin-1-iumyl)but-2-ynoxy]-4,5-dihydroisoxazole IUPAC Name: 2-hydroxy-2-oxoacetate; 3-(4-piperidin-1-ium-1-ylbut-2-ynoxy)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(4-piperidin-1-ium-1-ylbut-2-ynoxy)-2-isoxazoline binoxalate Formula: C14H20N2O6 MolecularWeight: 312.3184

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)CC#CCOC2=NOCC2.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CC[NH+](CC1)CC#CCOC2=NOCC2.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C12H18N2O2.C2H2O4/c1-2-7-14(8-3-1)9-4-5-10-15-12-6-11-16-13-12;3-1(4)2(5)6/h1-3,6-11H2;(H,3,4)(H,5,6)