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

Systemtic Name: [2-[(2-ethyl-3-methyl-quinolin-4-yl)amino]-2-oxidanylidene-ethyl]-methyl-(phenylmethyl)azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: benzyl-[2-[(2-ethyl-3-methyl-4-quinolyl)amino]-2-oxo-ethyl]-methyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [2-[(2-ethyl-3-methyl-4-quinolinyl)amino]-2-oxoethyl]-methyl-(phenylmethyl)ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: benzyl-[2-[(2-ethyl-3-methylquinolin-4-yl)amino]-2-oxoethyl]-methylazanium; 2-hydroxy-2-oxoacetate Traditional Name: benzyl-[2-[(2-ethyl-3-methyl-4-quinolyl)amino]-2-keto-ethyl]-methyl-ammonium binoxalate Formula: C24H27N3O5 MolecularWeight: 437.48828

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)C[NH+](C)CC3=CC=CC=C3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)NC(=O)C[NH+](C)CC3=CC=CC=C3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C22H25N3O.C2H2O4/c1-4-19-16(2)22(18-12-8-9-13-20(18)23-19)24-21(26)15-25(3)14-17-10-6-5-7-11-17;3-1(4)2(5)6/h5-13H,4,14-15H2,1-3H3,(H,23,24,26);(H,3,4)(H,5,6)