4-(3,4-dichlorophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride

Systemtic Name: 4-(3,4-dichlorophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride Openeye Name: 4-(3,4-dichlorophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride CAS Name: 4-[(3,4-dichlorophenyl)thio]-1-piperidin-1-iumcarboxylic acid chloride IUPAC Name: 4-(3,4-dichlorophenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride Traditional Name: 4-[(3,4-dichlorophenyl)thio]piperidin-1-ium-1-carboxylic acid chloride Formula: C12H14Cl3NO2S MolecularWeight: 342.66906

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13Cl2NO2S.ClH/c13-10-2-1-9(7-11(10)14)18-8-3-5-15(6-4-8)12(16)17;/h1-2,7-8H,3-6H2,(H,16,17);1H