1-(1,3-benzodioxol-5-yl)-4-methyl-piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 1-(1,3-benzodioxol-5-yl)-4-methyl-piperazin-4-ium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 1-(1,3-benzodioxol-5-yl)-4-methyl-piperazin-4-ium; 2-hydroxy-2-oxo-acetate CAS Name: 1-(1,3-benzodioxol-5-yl)-4-methylpiperazin-4-ium; 2-hydroxy-2-oxoacetate IUPAC Name: 1-(1,3-benzodioxol-5-yl)-4-methylpiperazin-4-ium; 2-hydroxy-2-oxoacetate Traditional Name: 1-(1,3-benzodioxol-5-yl)-4-methyl-piperazin-4-ium binoxalate Formula: C14H18N2O6 MolecularWeight: 310.30252

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=CC3=C(C=C2)OCO3.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+]1CCN(CC1)C2=CC3=C(C=C2)OCO3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C12H16N2O2.C2H2O4/c1-13-4-6-14(7-5-13)10-2-3-11-12(8-10)16-9-15-11;3-1(4)2(5)6/h2-3,8H,4-7,9H2,1H3;(H,3,4)(H,5,6)