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4-nitro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenolate
4-nitro-2-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]phenolate
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Descriptors Computed from Structure
Canonical SMILES:
C1CN(CC[NH+]1CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CC(=C3)C(F)(F)F
Isomeric SMILES
C1CN(CC[NH+]1CC2=C(C=CC(=C2)[N+](=O)[O-])[O-])C3=CC=CC(=C3)C(F)(F)F
InChI
InChI=1S/C18H18F3N3O3/c19-18(20,21)14-2-1-3-15(11-14)23-8-6-22(7-9-23)12-13-10-16(24(26)27)4-5-17(13)25/h1-5,10-11,25H,6-9,12H2
Other Product
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- 3-(3-hydroxyphenyl)propanoic acid
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- 1-(2-ethoxyphenyl)-4-[(2-methoxynaphthalen-1-yl)methyl]piperazin-4-ium
- 1-[(4-methoxynaphthalen-1-yl)methyl]-4-phenyl-piperazin-1-ium
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- 1-[(5-bromanylthiophen-2-yl)methyl]-4-(2,5-dimethylphenyl)piperazin-1-ium
- diethyl-[3-[[2-(4-fluorophenyl)-5-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl]amino]propyl]azanium
