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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)[NH2+]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(C)(C)[NH2+]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/c1-17(2,3)18-11-16(22)20-14-10-15(21(4)5)19-13-9-7-6-8-12(13)14;2*3-1(4)2(5)6/h6-10,18H,11H2,1-5H3,(H,19,20,22);2*(H,3,4)(H,5,6)