7-nitro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]quinolin-8-olate

Systemtic Name: 7-nitro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]quinolin-8-olate Openeye Name: 7-nitro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]quinolin-8-olate CAS Name: 7-nitro-5-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]-8-quinolinolate IUPAC Name: 7-nitro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]quinolin-8-olate Traditional Name: 7-nitro-5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]quinolin-8-olate Formula: C21H19F3N4O3 MolecularWeight: 432.39577

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=C(C3=C2C=CC=N3)[O-])[N+](=O)[O-])C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=C(C3=C2C=CC=N3)[O-])[N+](=O)[O-])C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H19F3N4O3/c22-21(23,24)15-3-1-4-16(12-15)27-9-7-26(8-10-27)13-14-11-18(28(30)31)20(29)19-17(14)5-2-6-25-19/h1-6,11-12,29H,7-10,13H2