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

Systemtic Name: tert-butyl-[2-[(3-ethyl-2-propyl-quinolin-4-yl)amino]-2-oxidanylidene-ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: tert-butyl-[2-[(3-ethyl-2-propyl-4-quinolyl)amino]-2-oxo-ethyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: tert-butyl-[2-[(3-ethyl-2-propyl-4-quinolinyl)amino]-2-oxoethyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: tert-butyl-[2-[(3-ethyl-2-propylquinolin-4-yl)amino]-2-oxoethyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: tert-butyl-[2-[(3-ethyl-2-propyl-4-quinolyl)amino]-2-keto-ethyl]ammonium binoxalate Formula: C22H31N3O5 MolecularWeight: 417.49864

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)C[NH2+]C(C)(C)C.C(=O)(C(=O)[O-])O

Isomeric SMILES

CCCC1=NC2=CC=CC=C2C(=C1CC)NC(=O)C[NH2+]C(C)(C)C.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H29N3O.C2H2O4/c1-6-10-16-14(7-2)19(15-11-8-9-12-17(15)22-16)23-18(24)13-21-20(3,4)5;3-1(4)2(5)6/h8-9,11-12,21H,6-7,10,13H2,1-5H3,(H,22,23,24);(H,3,4)(H,5,6)