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2-(4-methylpiperidin-1-ium-1-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
2-(4-methylpiperidin-1-ium-1-yl)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
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Descriptors Computed from Structure
Canonical SMILES:
CC1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
Isomeric SMILES
CC1CC[NH+](CC1)CC(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C19H25F3N4O3/c1-14-4-6-23(7-5-14)13-18(27)25-10-8-24(9-11-25)16-3-2-15(19(20,21)22)12-17(16)26(28)29/h2-3,12,14H,4-11,13H2,1H3/p+1
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