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(2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide
(2S)-N-ethyl-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanamide
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Descriptors Computed from Structure
Canonical SMILES:
CCNC(=O)C(C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F
Isomeric SMILES
CCNC(=O)[C@H](C)[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C16H22F3N3O3S/c1-3-20-15(23)12(2)21-7-9-22(10-8-21)26(24,25)14-6-4-5-13(11-14)16(17,18)19/h4-6,11-12H,3,7-10H2,1-2H3,(H,20,23)/p+1/t12-/m0/s1
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- N-methyl-2-[2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]ethanoylamino]ethanamide
