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

Systemtic Name: 2-methoxy-4-nitro-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenolate Openeye Name: 2-methoxy-4-nitro-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenolate CAS Name: 2-methoxy-4-nitro-6-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]phenolate IUPAC Name: 2-methoxy-4-nitro-6-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenolate Traditional Name: 2-methoxy-4-nitro-6-[[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=C(C(=CC(=C1)[N+](=O)[O-])C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)[O-]

Isomeric SMILES

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

InChI

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