N-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: N-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: N-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide; 2-hydroxy-2-oxo-acetate CAS Name: N-[(3,4-dimethoxyphenyl)methyl]-2-pyrrolidin-1-iumcarboxamide; 2-hydroxy-2-oxoacetate IUPAC Name: N-[(3,4-dimethoxyphenyl)methyl]pyrrolidin-1-ium-2-carboxamide; 2-hydroxy-2-oxoacetate Traditional Name: N-veratrylpyrrolidin-1-ium-2-carboxamide binoxalate Formula: C16H22N2O7 MolecularWeight: 354.35508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)C2CCC[NH2+]2)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)C2CCC[NH2+]2)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C14H20N2O3.C2H2O4/c1-18-12-6-5-10(8-13(12)19-2)9-16-14(17)11-4-3-7-15-11;3-1(4)2(5)6/h5-6,8,11,15H,3-4,7,9H2,1-2H3,(H,16,17);(H,3,4)(H,5,6)