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

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

Systemtic Name:4-(3-methylphenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride
Openeye Name:4-(m-tolylsulfanyl)piperidin-1-ium-1-carboxylic acid chloride
CAS Name:4-[(3-methylphenyl)thio]-1-piperidin-1-iumcarboxylic acid chloride
IUPAC Name:4-(3-methylphenyl)sulfanylpiperidin-1-ium-1-carboxylic acid chloride
Traditional Name:4-(m-tolylthio)piperidin-1-ium-1-carboxylic acid chloride
Formula: C13H18ClNO2S
MolecularWeight: 287.80552
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2CC[NH+](CC2)C(=O)O.[Cl-]


Isomeric SMILES

CC1=CC(=CC=C1)SC2CC[NH+](CC2)C(=O)O.[Cl-]


InChI

InChI=1S/C13H17NO2S.ClH/c1-10-3-2-4-12(9-10)17-11-5-7-14(8-6-11)13(15)16;/h2-4,9,11H,5-8H2,1H3,(H,15,16);1H


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