(3S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-sulfonamide

Systemtic Name: (3S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-sulfonamide Openeye Name: (3S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-sulfonamide CAS Name: (3S)-N-[[3-(trifluoromethyl)phenyl]methyl]-3-piperidin-1-iumsulfonamide IUPAC Name: (3S)-N-[[3-(trifluoromethyl)phenyl]methyl]piperidin-1-ium-3-sulfonamide Traditional Name: (3S)-N-[3-(trifluoromethyl)benzyl]piperidin-1-ium-3-sulfonamide Formula: C13H18F3N2O2S+ MolecularWeight: 323.35443

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C[NH2+]C1)S(=O)(=O)NCC2=CC(=CC=C2)C(F)(F)F

Isomeric SMILES

C1C[C@@H](C[NH2+]C1)S(=O)(=O)NCC2=CC(=CC=C2)C(F)(F)F

InChI

InChI=1S/C13H17F3N2O2S/c14-13(15,16)11-4-1-3-10(7-11)8-18-21(19,20)12-5-2-6-17-9-12/h1,3-4,7,12,17-18H,2,5-6,8-9H2/p+1/t12-/m0/s1