2-oxidanyl-2-oxidanylidene-ethanoate; 3-phenyl-2-piperidin-1-ium-1-yl-quinolin-4-amine

Systemtic Name: 2-oxidanyl-2-oxidanylidene-ethanoate; 3-phenyl-2-piperidin-1-ium-1-yl-quinolin-4-amine Openeye Name: 2-hydroxy-2-oxo-acetate; 3-phenyl-2-piperidin-1-ium-1-yl-quinolin-4-amine CAS Name: 2-hydroxy-2-oxoacetate; 3-phenyl-2-(1-piperidin-1-iumyl)-4-quinolinamine IUPAC Name: 2-hydroxy-2-oxoacetate; 3-phenyl-2-piperidin-1-ium-1-ylquinolin-4-amine Traditional Name: (3-phenyl-2-piperidin-1-ium-1-yl-4-quinolyl)amine binoxalate Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C2=NC3=CC=CC=C3C(=C2C4=CC=CC=C4)N.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CC[NH+](CC1)C2=NC3=CC=CC=C3C(=C2C4=CC=CC=C4)N.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C20H21N3.C2H2O4/c21-19-16-11-5-6-12-17(16)22-20(23-13-7-2-8-14-23)18(19)15-9-3-1-4-10-15;3-1(4)2(5)6/h1,3-6,9-12H,2,7-8,13-14H2,(H2,21,22);(H,3,4)(H,5,6)