2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-ethyl-3-methyl-quinolin-4-yl)amino]-2-oxidanylidene-ethyl]-methyl-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]-methyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-ethyl-3-methyl-4-quinolyl)amino]-2-oxo-ethyl]-methyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-ethyl-3-methyl-4-quinolinyl)amino]-2-oxoethyl]-methylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-methylazanium; 2-hydroxy-2-oxoacetate Traditional Name: [2-[(2-ethyl-3-methyl-4-quinolyl)amino]-2-keto-ethyl]-homoveratryl-methyl-ammonium binoxalate Formula: C27H33N3O7 MolecularWeight: 511.56682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H31N3O3.C2H2O4/c1-6-20-17(2)25(19-9-7-8-10-21(19)26-20)27-24(29)16-28(3)14-13-18-11-12-22(30-4)23(15-18)31-5;3-1(4)2(5)6/h7-12,15H,6,13-14,16H2,1-5H3,(H,26,27,29);(H,3,4)(H,5,6)