1-[2-(azepan-1-ium-1-yl)ethanoyl]pyrrolidin-2-one; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-[2-(azepan-1-ium-1-yl)ethanoyl]pyrrolidin-2-one; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-[2-(azepan-1-ium-1-yl)acetyl]pyrrolidin-2-one; 2-hydroxy-2-oxo-acetate CAS Name: 1-[2-(1-azepan-1-iumyl)-1-oxoethyl]-2-pyrrolidinone; 2-hydroxy-2-oxoacetate IUPAC Name: 1-[2-(azepan-1-ium-1-yl)acetyl]pyrrolidin-2-one; 2-hydroxy-2-oxoacetate Traditional Name: 1-[2-(azepan-1-ium-1-yl)acetyl]-2-pyrrolidone binoxalate Formula: C14H22N2O6 MolecularWeight: 314.33428

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CC(=O)N2CCCC2=O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CCC[NH+](CC1)CC(=O)N2CCCC2=O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C12H20N2O2.C2H2O4/c15-11-6-5-9-14(11)12(16)10-13-7-3-1-2-4-8-13;3-1(4)2(5)6/h1-10H2;(H,3,4)(H,5,6)