N-(2-ethyl-3-methyl-quinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: N-(2-ethyl-3-methyl-quinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: N-(2-ethyl-3-methyl-4-quinolyl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide; 2-hydroxy-2-oxo-acetate CAS Name: N-(2-ethyl-3-methyl-4-quinolinyl)-2-(4-phenyl-1-piperazine-1,4-diiumyl)acetamide; 2-hydroxy-2-oxoacetate IUPAC Name: N-(2-ethyl-3-methylquinolin-4-yl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide; 2-hydroxy-2-oxoacetate Traditional Name: N-(2-ethyl-3-methyl-4-quinolyl)-2-(4-phenylpiperazine-1,4-diium-1-yl)acetamide dibinoxalate Formula: C28H32N4O9 MolecularWeight: 568.57508

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)C[NH+]3CC[NH+](CC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)C[NH+]3CC[NH+](CC3)C4=CC=CC=C4.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C24H28N4O.2C2H2O4/c1-3-21-18(2)24(20-11-7-8-12-22(20)25-21)26-23(29)17-27-13-15-28(16-14-27)19-9-5-4-6-10-19;2*3-1(4)2(5)6/h4-12H,3,13-17H2,1-2H3,(H,25,26,29);2*(H,3,4)(H,5,6)