2-methoxy-6-nitro-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenolate

Systemtic Name: 2-methoxy-6-nitro-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenolate Openeye Name: 2-methoxy-6-nitro-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenolate CAS Name: 2-methoxy-6-nitro-4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]phenolate IUPAC Name: 2-methoxy-6-nitro-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenolate Traditional Name: 2-methoxy-6-nitro-4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenolate Formula: C19H20F3N3O4 MolecularWeight: 411.37501

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

Isomeric SMILES

COC1=CC(=CC(=C1[O-])[N+](=O)[O-])C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O4/c1-29-17-10-13(9-16(18(17)26)25(27)28)12-23-5-7-24(8-6-23)15-4-2-3-14(11-15)19(20,21)22/h2-4,9-11,26H,5-8,12H2,1H3