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

Systemtic Name: [4-[2-(dimethylazaniumyl)ethanoylamino]quinolin-2-yl]-dimethyl-azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: [4-[[2-(dimethylammonio)acetyl]amino]-2-quinolyl]-dimethyl-ammonium; 2-hydroxy-2-oxo-acetate CAS Name: [4-[[2-(dimethylammonio)-1-oxoethyl]amino]-2-quinolinyl]-dimethylammonium; 2-hydroxy-2-oxoacetate IUPAC Name: [4-[[2-(dimethylazaniumyl)acetyl]amino]quinolin-2-yl]-dimethylazanium; 2-hydroxy-2-oxoacetate Traditional Name: [4-[[2-(dimethylammonio)acetyl]amino]-2-quinolyl]-dimethyl-ammonium dibinoxalate Formula: C19H24N4O9 MolecularWeight: 452.41526

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)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

C[NH+](C)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/C15H20N4O.2C2H2O4/c1-18(2)10-15(20)17-13-9-14(19(3)4)16-12-8-6-5-7-11(12)13;2*3-1(4)2(5)6/h5-9H,10H2,1-4H3,(H,16,17,20);2*(H,3,4)(H,5,6)