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

Systemtic Name: N-(3-ethyl-2-propyl-quinolin-4-yl)-2-piperidin-1-ium-1-yl-ethanamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: N-(3-ethyl-2-propyl-4-quinolyl)-2-piperidin-1-ium-1-yl-acetamide; 2-hydroxy-2-oxo-acetate CAS Name: N-(3-ethyl-2-propyl-4-quinolinyl)-2-(1-piperidin-1-iumyl)acetamide; 2-hydroxy-2-oxoacetate IUPAC Name: N-(3-ethyl-2-propylquinolin-4-yl)-2-piperidin-1-ium-1-ylacetamide; 2-hydroxy-2-oxoacetate Traditional Name: N-(3-ethyl-2-propyl-4-quinolyl)-2-piperidin-1-ium-1-yl-acetamide binoxalate Formula: C23H31N3O5 MolecularWeight: 429.50934

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)C[NH+]3CCCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)C[NH+]3CCCCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C21H29N3O.C2H2O4/c1-3-10-18-16(4-2)21(17-11-6-7-12-19(17)22-18)23-20(25)15-24-13-8-5-9-14-24;3-1(4)2(5)6/h6-7,11-12H,3-5,8-10,13-15H2,1-2H3,(H,22,23,25);(H,3,4)(H,5,6)