dimethyl-[4-(2-piperidin-1-ium-1-ylethanoylamino)quinolin-2-yl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: dimethyl-[4-(2-piperidin-1-ium-1-ylethanoylamino)quinolin-2-yl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: dimethyl-[4-[(2-piperidin-1-ium-1-ylacetyl)amino]-2-quinolyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: dimethyl-[4-[[1-oxo-2-(1-piperidin-1-iumyl)ethyl]amino]-2-quinolinyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: dimethyl-[4-[(2-piperidin-1-ium-1-ylacetyl)amino]quinolin-2-yl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: dimethyl-[4-[(2-piperidin-1-ium-1-ylacetyl)amino]-2-quinolyl]ammonium dibinoxalate Formula: C22H28N4O9 MolecularWeight: 492.47912

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCCCC3.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

Isomeric SMILES

C[NH+](C)C1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCCCC3.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C18H24N4O.2C2H2O4/c1-21(2)17-12-16(14-8-4-5-9-15(14)19-17)20-18(23)13-22-10-6-3-7-11-22;2*3-1(4)2(5)6/h4-5,8-9,12H,3,6-7,10-11,13H2,1-2H3,(H,19,20,23);2*(H,3,4)(H,5,6)