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

Systemtic Name: dimethyl-[4-(2-pyrrolidin-1-ium-1-ylethanoylamino)quinolin-2-yl]azanium; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: dimethyl-[4-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-2-quinolyl]ammonium; 2-hydroxy-2-oxo-acetate CAS Name: dimethyl-[4-[[1-oxo-2-(1-pyrrolidin-1-iumyl)ethyl]amino]-2-quinolinyl]ammonium; 2-hydroxy-2-oxoacetate IUPAC Name: dimethyl-[4-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]quinolin-2-yl]azanium; 2-hydroxy-2-oxoacetate Traditional Name: dimethyl-[4-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]-2-quinolyl]ammonium dibinoxalate Formula: C21H26N4O9 MolecularWeight: 478.45254

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)C1=NC2=CC=CC=C2C(=C1)NC(=O)C[NH+]3CCCC3.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+]3CCCC3.C(=O)(C(=O)[O-])O.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C17H22N4O.2C2H2O4/c1-20(2)16-11-15(13-7-3-4-8-14(13)18-16)19-17(22)12-21-9-5-6-10-21;2*3-1(4)2(5)6/h3-4,7-8,11H,5-6,9-10,12H2,1-2H3,(H,18,19,22);2*(H,3,4)(H,5,6)