N-(4-methylsulfanylphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanamide

Systemtic Name: N-(4-methylsulfanylphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]ethanamide Openeye Name: N-(4-methylsulfanylphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]acetamide CAS Name: N-[4-(methylthio)phenyl]-2-[(3R)-3-(trifluoromethyl)-1-piperidin-1-iumyl]acetamide IUPAC Name: N-(4-methylsulfanylphenyl)-2-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]acetamide Traditional Name: N-[4-(methylthio)phenyl]-2-[(3R)-3-(trifluoromethyl)piperidin-1-ium-1-yl]acetamide Formula: C15H20F3N2OS+ MolecularWeight: 333.39231

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)NC(=O)C[NH+]2CCCC(C2)C(F)(F)F

Isomeric SMILES

CSC1=CC=C(C=C1)NC(=O)C[NH+]2CCC[C@H](C2)C(F)(F)F

InChI

InChI=1S/C15H19F3N2OS/c1-22-13-6-4-12(5-7-13)19-14(21)10-20-8-2-3-11(9-20)15(16,17)18/h4-7,11H,2-3,8-10H2,1H3,(H,19,21)/p+1/t11-/m1/s1