[4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanoylamino]quinolin-2-yl]-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [4-[2-[2-(3,4-dimethoxyphenyl)ethylamino]ethanoylamino]quinolin-2-yl]-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [4-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]-2-quinolyl]-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [4-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]-1-oxoethyl]amino]-2-quinolinyl]-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [4-[[2-[2-(3,4-dimethoxyphenyl)ethylamino]acetyl]amino]quinolin-2-yl]-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: [4-[[2-(homoveratrylamino)acetyl]amino]-2-quinolyl]-dimethyl-ammonium binoxalate Formula: C25H30N4O7 MolecularWeight: 498.5283

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1=NC2=CC=CC=C2C(=C1)NC(=O)CNCCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](C)C1=NC2=CC=CC=C2C(=C1)NC(=O)CNCCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H28N4O3.C2H2O4/c1-27(2)22-14-19(17-7-5-6-8-18(17)25-22)26-23(28)15-24-12-11-16-9-10-20(29-3)21(13-16)30-4;3-1(4)2(5)6/h5-10,13-14,24H,11-12,15H2,1-4H3,(H,25,26,28);(H,3,4)(H,5,6)