N-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-4-oxidanylidene-1H-quinoline-2-carboxamide; 2-oxidanyl-2-oxidanylidene-ethanoate

Systemtic Name: N-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-4-oxidanylidene-1H-quinoline-2-carboxamide; 2-oxidanyl-2-oxidanylidene-ethanoate Openeye Name: N-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-4-oxo-1H-quinoline-2-carboxamide; 2-hydroxy-2-oxo-acetate CAS Name: N-[3-[4-(3-chlorophenyl)-1-piperazin-1-iumyl]propyl]-4-oxo-1H-quinoline-2-carboxamide; 2-hydroxy-2-oxoacetate IUPAC Name: N-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-4-oxo-1H-quinoline-2-carboxamide; 2-hydroxy-2-oxoacetate Traditional Name: N-[3-[4-(3-chlorophenyl)piperazin-1-ium-1-yl]propyl]-4-keto-1H-quinoline-2-carboxamide binoxalate Formula: C25H27ClN4O6 MolecularWeight: 514.95808

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCCNC(=O)C2=CC(=O)C3=CC=CC=C3N2)C4=CC(=CC=C4)Cl.C(=O)(C(=O)[O-])O

Isomeric SMILES

C1CN(CC[NH+]1CCCNC(=O)C2=CC(=O)C3=CC=CC=C3N2)C4=CC(=CC=C4)Cl.C(=O)(C(=O)[O-])O

InChI

InChI=1S/C23H25ClN4O2.C2H2O4/c24-17-5-3-6-18(15-17)28-13-11-27(12-14-28)10-4-9-25-23(30)21-16-22(29)19-7-1-2-8-20(19)26-21;3-1(4)2(5)6/h1-3,5-8,15-16H,4,9-14H2,(H,25,30)(H,26,29);(H,3,4)(H,5,6)