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N-(3,5-dimethylphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanamide
N-(3,5-dimethylphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanamide
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Descriptors Computed from Structure
Canonical SMILES:
CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCCC(C2)C(F)(F)F)C
Isomeric SMILES
CC1=CC(=CC(=C1)NC(=O)C[NH+]2CCC[C@H](C2)C(F)(F)F)C
InChI
InChI=1S/C16H21F3N2O/c1-11-6-12(2)8-14(7-11)20-15(22)10-21-5-3-4-13(9-21)16(17,18)19/h6-8,13H,3-5,9-10H2,1-2H3,(H,20,22)/p+1/t13-/m1/s1
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