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4-phenylsulfanylpiperidin-1-ium-1-carboxylic acid chloride

4-phenylsulfanylpiperidin-1-ium-1-carboxylic acid chloride

Systemtic Name:4-phenylsulfanylpiperidin-1-ium-1-carboxylic acid chloride
Openeye Name:4-phenylsulfanylpiperidin-1-ium-1-carboxylic acid chloride
CAS Name:4-(phenylthio)-1-piperidin-1-iumcarboxylic acid chloride
IUPAC Name:4-phenylsulfanylpiperidin-1-ium-1-carboxylic acid chloride
Traditional Name:4-(phenylthio)piperidin-1-ium-1-carboxylic acid chloride
Formula: C12H16ClNO2S
MolecularWeight: 273.77894
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Descriptors Computed from Structure

Canonical SMILES:

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


Isomeric SMILES

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


InChI

InChI=1S/C12H15NO2S.ClH/c14-12(15)13-8-6-11(7-9-13)16-10-4-2-1-3-5-10;/h1-5,11H,6-9H2,(H,14,15);1H


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