2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-[(2-methylquinolin-4-yl)amino]-2-oxidanylidene-ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-[(2-methylquinolin-4-yl)amino]-2-oxidanylidene-ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-[(2-methyl-4-quinolyl)amino]-2-oxo-ethyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-[(2-methyl-4-quinolinyl)amino]-2-oxoethyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-methyl-[2-[(2-methylquinolin-4-yl)amino]-2-oxoethyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: homoveratryl-[2-keto-2-[(2-methyl-4-quinolyl)amino]ethyl]-methyl-ammonium binoxalate Formula: C25H29N3O7 MolecularWeight: 483.51366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+](C)CCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+](C)CCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H27N3O3.C2H2O4/c1-16-13-20(18-7-5-6-8-19(18)24-16)25-23(27)15-26(2)12-11-17-9-10-21(28-3)22(14-17)29-4;3-1(4)2(5)6/h5-10,13-14H,11-12,15H2,1-4H3,(H,24,25,27);(H,3,4)(H,5,6)