N-(3-ethyl-2-propyl-quinolin-4-yl)-2-morpholin-4-ium-4-yl-ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: N-(3-ethyl-2-propyl-quinolin-4-yl)-2-morpholin-4-ium-4-yl-ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: N-(3-ethyl-2-propyl-4-quinolyl)-2-morpholin-4-ium-4-yl-acetamide; 2-hydroxy-2-oxo-acetate CAS Name: N-(3-ethyl-2-propyl-4-quinolinyl)-2-(4-morpholin-4-iumyl)acetamide; 2-hydroxy-2-oxoacetate IUPAC Name: N-(3-ethyl-2-propylquinolin-4-yl)-2-morpholin-4-ium-4-ylacetamide; 2-hydroxy-2-oxoacetate Traditional Name: N-(3-ethyl-2-propyl-4-quinolyl)-2-morpholin-4-ium-4-yl-acetamide binoxalate Formula: C22H29N3O6 MolecularWeight: 431.48216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)C[NH+]3CCOCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)C[NH+]3CCOCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H27N3O2.C2H2O4/c1-3-7-17-15(4-2)20(16-8-5-6-9-18(16)21-17)22-19(24)14-23-10-12-25-13-11-23;3-1(4)2(5)6/h5-6,8-9H,3-4,7,10-14H2,1-2H3,(H,21,22,24);(H,3,4)(H,5,6)