4-[3-(trifluoromethyl)phenyl]sulfanylpiperidin-1-ium-1-carboxylic acid chloride

Systemtic Name: 4-[3-(trifluoromethyl)phenyl]sulfanylpiperidin-1-ium-1-carboxylic acid chloride Openeye Name: 4-[3-(trifluoromethyl)phenyl]sulfanylpiperidin-1-ium-1-carboxylic acid chloride CAS Name: 4-[[3-(trifluoromethyl)phenyl]thio]-1-piperidin-1-iumcarboxylic acid chloride IUPAC Name: 4-[3-(trifluoromethyl)phenyl]sulfanylpiperidin-1-ium-1-carboxylic acid chloride Traditional Name: 4-[[3-(trifluoromethyl)phenyl]thio]piperidin-1-ium-1-carboxylic acid chloride Formula: C13H15ClF3NO2S MolecularWeight: 341.77691

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCC1SC2=CC=CC(=C2)C(F)(F)F)C(=O)O.[Cl-]

Isomeric SMILES

C1C[NH+](CCC1SC2=CC=CC(=C2)C(F)(F)F)C(=O)O.[Cl-]

InChI

InChI=1S/C13H14F3NO2S.ClH/c14-13(15,16)9-2-1-3-11(8-9)20-10-4-6-17(7-5-10)12(18)19;/h1-3,8,10H,4-7H2,(H,18,19);1H