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

Systemtic Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(3-ethyl-2-propyl-quinolin-4-yl)amino]-2-oxidanylidene-ethyl]-methyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(3-ethyl-2-propyl-4-quinolyl)amino]-2-oxo-ethyl]-methyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(3-ethyl-2-propyl-4-quinolinyl)amino]-2-oxoethyl]-methylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(3,4-dimethoxyphenyl)ethyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]-methylazanium; 2-hydroxy-2-oxoacetate Traditional Name: [2-[(3-ethyl-2-propyl-4-quinolyl)amino]-2-keto-ethyl]-homoveratryl-methyl-ammonium binoxalate Formula: C29H37N3O7 MolecularWeight: 539.61998

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)C[NH+](C)CCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)C[NH+](C)CCC3=CC(=C(C=C3)OC)OC.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C27H35N3O3.C2H2O4/c1-6-10-22-20(7-2)27(21-11-8-9-12-23(21)28-22)29-26(31)18-30(3)16-15-19-13-14-24(32-4)25(17-19)33-5;3-1(4)2(5)6/h8-9,11-14,17H,6-7,10,15-16,18H2,1-5H3,(H,28,29,31);(H,3,4)(H,5,6)