N-(2-butyl-3-propyl-quinolin-4-yl)-2-piperidin-1-ium-1-yl-ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: N-(2-butyl-3-propyl-quinolin-4-yl)-2-piperidin-1-ium-1-yl-ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: N-(2-butyl-3-propyl-4-quinolyl)-2-piperidin-1-ium-1-yl-acetamide; 2-hydroxy-2-oxo-acetate CAS Name: N-(2-butyl-3-propyl-4-quinolinyl)-2-(1-piperidin-1-iumyl)acetamide; 2-hydroxy-2-oxoacetate IUPAC Name: N-(2-butyl-3-propylquinolin-4-yl)-2-piperidin-1-ium-1-ylacetamide; 2-hydroxy-2-oxoacetate Traditional Name: N-(2-butyl-3-propyl-4-quinolyl)-2-piperidin-1-ium-1-yl-acetamide binoxalate Formula: C25H35N3O5 MolecularWeight: 457.5625

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1CCC)NC(=O)C[NH+]3CCCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1CCC)NC(=O)C[NH+]3CCCCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H33N3O.C2H2O4/c1-3-5-13-20-18(11-4-2)23(19-12-7-8-14-21(19)24-20)25-22(27)17-26-15-9-6-10-16-26;3-1(4)2(5)6/h7-8,12,14H,3-6,9-11,13,15-17H2,1-2H3,(H,24,25,27);(H,3,4)(H,5,6)