methyl-(2-pyridin-2-ylethyl)-[(3,4,5-trimethoxyphenyl)methyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: methyl-(2-pyridin-2-ylethyl)-[(3,4,5-trimethoxyphenyl)methyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-hydroxy-2-oxo-acetate; methyl-[2-(2-pyridyl)ethyl]-[(3,4,5-trimethoxyphenyl)methyl]ammonium CAS Name: 2-hydroxy-2-oxoacetate; methyl-[2-(2-pyridinyl)ethyl]-[(3,4,5-trimethoxyphenyl)methyl]ammonium IUPAC Name: 2-hydroxy-2-oxoacetate; methyl-(2-pyridin-2-ylethyl)-[(3,4,5-trimethoxyphenyl)methyl]azanium Traditional Name: methyl-[2-(2-pyridyl)ethyl]-(3,4,5-trimethoxybenzyl)ammonium binoxalate Formula: C20H26N2O7 MolecularWeight: 406.42964

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CC2=CC(=C(C(=C2)OC)OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CC2=CC(=C(C(=C2)OC)OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H24N2O3.C2H2O4/c1-20(10-8-15-7-5-6-9-19-15)13-14-11-16(21-2)18(23-4)17(12-14)22-3;3-1(4)2(5)6/h5-7,9,11-12H,8,10,13H2,1-4H3;(H,3,4)(H,5,6)