[2-[(2-butyl-3-propyl-quinolin-4-yl)amino]-2-oxidanylidene-ethyl]-cyclohexyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [2-[(2-butyl-3-propyl-quinolin-4-yl)amino]-2-oxidanylidene-ethyl]-cyclohexyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [2-[(2-butyl-3-propyl-4-quinolyl)amino]-2-oxo-ethyl]-cyclohexyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [2-[(2-butyl-3-propyl-4-quinolinyl)amino]-2-oxoethyl]-cyclohexylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [2-[(2-butyl-3-propylquinolin-4-yl)amino]-2-oxoethyl]-cyclohexylazanium; 2-hydroxy-2-oxoacetate Traditional Name: [2-[(2-butyl-3-propyl-4-quinolyl)amino]-2-keto-ethyl]-cyclohexyl-ammonium binoxalate Formula: C26H37N3O5 MolecularWeight: 471.58908

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC=C2C(=C1CCC)NC(=O)C[NH2+]C3CCCCC3.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCCC1=NC2=CC=CC=C2C(=C1CCC)NC(=O)C[NH2+]C3CCCCC3.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C24H35N3O.C2H2O4/c1-3-5-15-21-19(11-4-2)24(20-14-9-10-16-22(20)26-21)27-23(28)17-25-18-12-7-6-8-13-18;3-1(4)2(5)6/h9-10,14,16,18,25H,3-8,11-13,15,17H2,1-2H3,(H,26,27,28);(H,3,4)(H,5,6)