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(2S)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide
(2S)-N-propyl-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]propanamide
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Descriptors Computed from Structure
Canonical SMILES:
CCCNC(=O)C(C)[NH+]1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F
Isomeric SMILES
CCCNC(=O)[C@H](C)[NH+]1CCN(CC1)C2=CC=CC(=C2)C(F)(F)F
InChI
InChI=1S/C17H24F3N3O/c1-3-7-21-16(24)13(2)22-8-10-23(11-9-22)15-6-4-5-14(12-15)17(18,19)20/h4-6,12-13H,3,7-11H2,1-2H3,(H,21,24)/p+1/t13-/m0/s1
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- (2R)-N-[4-[bis(fluoranyl)methylsulfanyl]phenyl]-2-[4-(2,3-dimethylphenyl)piperazin-1-yl]propanamide
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