[(2R)-2-piperidin-1-ium-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethyl]azanium

Systemtic Name: [(2R)-2-piperidin-1-ium-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethyl]azanium Openeye Name: [(2R)-2-piperidin-1-ium-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethyl]ammonium CAS Name: [(2R)-2-(1-piperidin-1-iumyl)-2-[4-(trifluoromethylthio)phenyl]ethyl]ammonium IUPAC Name: [(2R)-2-piperidin-1-ium-1-yl-2-[4-(trifluoromethylsulfanyl)phenyl]ethyl]azanium Traditional Name: [(2R)-2-piperidin-1-ium-1-yl-2-[4-(trifluoromethylthio)phenyl]ethyl]ammonium Formula: C14H21F3N2S+2 MolecularWeight: 306.39015

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](CC1)C(C[NH3+])C2=CC=C(C=C2)SC(F)(F)F

Isomeric SMILES

C1CC[NH+](CC1)[C@@H](C[NH3+])C2=CC=C(C=C2)SC(F)(F)F

InChI

InChI=1S/C14H19F3N2S/c15-14(16,17)20-12-6-4-11(5-7-12)13(10-18)19-8-2-1-3-9-19/h4-7,13H,1-3,8-10,18H2/p+2/t13-/m0/s1