dibutyl-[2-[[2-(dimethylazaniumyl)quinolin-4-yl]amino]-2-oxidanylidene-ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: dibutyl-[2-[[2-(dimethylazaniumyl)quinolin-4-yl]amino]-2-oxidanylidene-ethyl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: dibutyl-[2-[[2-(dimethylammonio)-4-quinolyl]amino]-2-oxo-ethyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: dibutyl-[2-[[2-(dimethylammonio)-4-quinolinyl]amino]-2-oxoethyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: dibutyl-[2-[[2-(dimethylazaniumyl)quinolin-4-yl]amino]-2-oxoethyl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: dibutyl-[2-[[2-(dimethylammonio)-4-quinolyl]amino]-2-keto-ethyl]ammonium dibinoxalate Formula: C25H36N4O9 MolecularWeight: 536.57474

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H32N4O.2C2H2O4/c1-5-7-13-25(14-8-6-2)16-21(26)23-19-15-20(24(3)4)22-18-12-10-9-11-17(18)19;2*3-1(4)2(5)6/h9-12,15H,5-8,13-14,16H2,1-4H3,(H,22,23,26);2*(H,3,4)(H,5,6)