N-(2-butyl-3-propyl-quinolin-4-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: N-(2-butyl-3-propyl-quinolin-4-yl)-2-[4-(phenylcarbonyl)piperazin-1-ium-1-yl]ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-butyl-3-propyl-4-quinolyl)acetamide; 2-hydroxy-2-oxo-acetate CAS Name: 2-(4-benzoyl-1-piperazin-1-iumyl)-N-(2-butyl-3-propyl-4-quinolinyl)acetamide; 2-hydroxy-2-oxoacetate IUPAC Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-butyl-3-propylquinolin-4-yl)acetamide; 2-hydroxy-2-oxoacetate Traditional Name: 2-(4-benzoylpiperazin-1-ium-1-yl)-N-(2-butyl-3-propyl-4-quinolyl)acetamide binoxalate Formula: C31H38N4O6 MolecularWeight: 562.65662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1CCC)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1CCC)NC(=O)C[NH+]3CCN(CC3)C(=O)C4=CC=CC=C4.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C29H36N4O2.C2H2O4/c1-3-5-15-25-23(11-4-2)28(24-14-9-10-16-26(24)30-25)31-27(34)21-32-17-19-33(20-18-32)29(35)22-12-7-6-8-13-22;3-1(4)2(5)6/h6-10,12-14,16H,3-5,11,15,17-21H2,1-2H3,(H,30,31,34);(H,3,4)(H,5,6)