4-(3-fluorophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride

Systemtic Name: 4-(3-fluorophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride Openeye Name: 4-(3-fluorophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride CAS Name: 4-[(3-fluorophenyl)thio]-1-piperidin-1-iumcarboxylic acid chloride IUPAC Name: 4-(3-fluorophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride Traditional Name: 4-[(3-fluorophenyl)thio]piperidin-1-ium-1-carboxylic acid chloride Formula: C12H15ClFNO2S MolecularWeight: 291.769403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14FNO2S.ClH/c13-9-2-1-3-11(8-9)17-10-4-6-14(7-5-10)12(15)16;/h1-3,8,10H,4-7H2,(H,15,16);1H