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

Systemtic Name: 2-[4-(diphenylmethyl)piperazine-1,4-diium-1-yl]-N-(3-ethyl-2-propyl-quinolin-4-yl)ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(3-ethyl-2-propyl-4-quinolyl)acetamide; 2-hydroxy-2-oxo-acetate CAS Name: 2-[4-(diphenylmethyl)-1-piperazine-1,4-diiumyl]-N-(3-ethyl-2-propyl-4-quinolinyl)acetamide; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(3-ethyl-2-propylquinolin-4-yl)acetamide; 2-hydroxy-2-oxoacetate Traditional Name: 2-(4-benzhydrylpiperazine-1,4-diium-1-yl)-N-(3-ethyl-2-propyl-4-quinolyl)acetamide dibinoxalate Formula: C37H42N4O9 MolecularWeight: 686.75078

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)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

CCCC1=NC2=CC=CC=C2C(=C1CC)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/C33H38N4O.2C2H2O4/c1-3-13-29-27(4-2)32(28-18-11-12-19-30(28)34-29)35-31(38)24-36-20-22-37(23-21-36)33(25-14-7-5-8-15-25)26-16-9-6-10-17-26;2*3-1(4)2(5)6/h5-12,14-19,33H,3-4,13,20-24H2,1-2H3,(H,34,35,38);2*(H,3,4)(H,5,6)