3-(5-piperazin-4-ium-1-ylcarbonyl-1H-indol-2-yl)-1H-quinolin-2-one; 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 3-(5-piperazin-4-ium-1-ylcarbonyl-1H-indol-2-yl)-1H-quinolin-2-one; 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 3-[5-(piperazin-4-ium-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one; 2,2,2-trifluoroacetate CAS Name: 3-[5-[oxo(1-piperazin-4-iumyl)methyl]-1H-indol-2-yl]-1H-quinolin-2-one; 2,2,2-trifluoroacetate IUPAC Name: 3-[5-(piperazin-4-ium-1-carbonyl)-1H-indol-2-yl]-1H-quinolin-2-one; 2,2,2-trifluoroacetate Traditional Name: 3-[5-(piperazin-4-ium-1-carbonyl)-1H-indol-2-yl]carbostyril; 2,2,2-trifluoroacetate Formula: C24H21F3N4O4 MolecularWeight: 486.44315

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)C2=CC3=C(C=C2)NC(=C3)C4=CC5=CC=CC=C5NC4=O.C(=O)(C(F)(F)F)[O-]

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)C2=CC3=C(C=C2)NC(=C3)C4=CC5=CC=CC=C5NC4=O.C(=O)(C(F)(F)F)[O-]

InChI

InChI=1S/C22H20N4O2.C2HF3O2/c27-21-17(12-14-3-1-2-4-18(14)25-21)20-13-16-11-15(5-6-19(16)24-20)22(28)26-9-7-23-8-10-26;3-2(4,5)1(6)7/h1-6,11-13,23-24H,7-10H2,(H,25,27);(H,6,7)