[4-[2-(diethylazaniumyl)ethanoylamino]quinolin-2-yl]-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: [4-[2-(diethylazaniumyl)ethanoylamino]quinolin-2-yl]-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [4-[[2-(diethylammonio)acetyl]amino]-2-quinolyl]-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [4-[[2-(diethylammonio)-1-oxoethyl]amino]-2-quinolinyl]-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [4-[[2-(diethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: [4-[[2-(diethylammonio)acetyl]amino]-2-quinolyl]-dimethyl-ammonium dibinoxalate Formula: C21H28N4O9 MolecularWeight: 480.46842

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)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

CC[NH+](CC)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/C17H24N4O.2C2H2O4/c1-5-21(6-2)12-17(22)19-15-11-16(20(3)4)18-14-10-8-7-9-13(14)15;2*3-1(4)2(5)6/h7-11H,5-6,12H2,1-4H3,(H,18,19,22);2*(H,3,4)(H,5,6)