[2-[(2-ethyl-3-methyl-quinolin-4-yl)amino]-2-oxidanylidene-ethyl]-dihexyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [2-[(2-ethyl-3-methyl-quinolin-4-yl)amino]-2-oxidanylidene-ethyl]-dihexyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [2-[(2-ethyl-3-methyl-4-quinolyl)amino]-2-oxo-ethyl]-dihexyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [2-[(2-ethyl-3-methyl-4-quinolinyl)amino]-2-oxoethyl]-dihexylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-dihexylazanium; 2-hydroxy-2-oxoacetate Traditional Name: [2-[(2-ethyl-3-methyl-4-quinolyl)amino]-2-keto-ethyl]-dihexyl-ammonium binoxalate Formula: C28H43N3O5 MolecularWeight: 501.65812

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC[NH+](CCCCCC)CC(=O)NC1=C(C(=NC2=CC=CC=C21)CC)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCCC[NH+](CCCCCC)CC(=O)NC1=C(C(=NC2=CC=CC=C21)CC)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C26H41N3O.C2H2O4/c1-5-8-10-14-18-29(19-15-11-9-6-2)20-25(30)28-26-21(4)23(7-3)27-24-17-13-12-16-22(24)26;3-1(4)2(5)6/h12-13,16-17H,5-11,14-15,18-20H2,1-4H3,(H,27,28,30);(H,3,4)(H,5,6)