2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-N-(2-ethyl-3-methyl-quinolin-4-yl)ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: 2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-N-(2-ethyl-3-methyl-quinolin-4-yl)ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(2-ethyl-3-methyl-4-quinolyl)acetamide; 2-hydroxy-2-oxo-acetate CAS Name: 2-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-N-(2-ethyl-3-methyl-4-quinolinyl)acetamide; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(2-ethyl-3-methylquinolin-4-yl)acetamide; 2-hydroxy-2-oxoacetate Traditional Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(2-ethyl-3-methyl-4-quinolyl)acetamide dibinoxalate Formula: C35H38N4O9 MolecularWeight: 658.69762

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)C[NH+]3CC[NH+](CC3)C(C4=CC=CC=C4)C5=CC=CC=C5.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)C(C4=CC=CC=C4)C5=CC=CC=C5.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C31H34N4O.2C2H2O4/c1-3-27-23(2)30(26-16-10-11-17-28(26)32-27)33-29(36)22-34-18-20-35(21-19-34)31(24-12-6-4-7-13-24)25-14-8-5-9-15-25;2*3-1(4)2(5)6/h4-17,31H,3,18-22H2,1-2H3,(H,32,33,36);2*(H,3,4)(H,5,6)