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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-ethyl-3-methyl-quinolin-4-yl)amino]-2-oxidanylidene-ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-ethyl-3-methyl-4-quinolyl)amino]-2-oxo-ethyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-ethyl-3-methyl-4-quinolinyl)amino]-2-oxoethyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: [2-[(2-ethyl-3-methyl-4-quinolyl)amino]-2-keto-ethyl]-homoveratryl-ammonium binoxalate Formula: C26H31N3O7 MolecularWeight: 497.54024

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)C[NH2+]CCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)C[NH2+]CCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C24H29N3O3.C2H2O4/c1-5-19-16(2)24(18-8-6-7-9-20(18)26-19)27-23(28)15-25-13-12-17-10-11-21(29-3)22(14-17)30-4;3-1(4)2(5)6/h6-11,14,25H,5,12-13,15H2,1-4H3,(H,26,27,28);(H,3,4)(H,5,6)