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4-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridin-1-ium chloride

4-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridin-1-ium chloride

Systemtic Name:4-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridin-1-ium chloride
Openeye Name:4-[2-(4-isopropylphenyl)sulfanylethyl]pyridin-1-ium chloride
CAS Name:4-[2-[(4-propan-2-ylphenyl)thio]ethyl]pyridin-1-ium chloride
IUPAC Name:4-[2-(4-propan-2-ylphenyl)sulfanylethyl]pyridin-1-ium chloride
Traditional Name:4-[2-(p-cumenylthio)ethyl]pyridin-1-ium chloride
Formula: C16H20ClNS
MolecularWeight: 293.8547
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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)SCCC2=CC=[NH+]C=C2.[Cl-]


Isomeric SMILES

CC(C)C1=CC=C(C=C1)SCCC2=CC=[NH+]C=C2.[Cl-]


InChI

InChI=1S/C16H19NS.ClH/c1-13(2)15-3-5-16(6-4-15)18-12-9-14-7-10-17-11-8-14;/h3-8,10-11,13H,9,12H2,1-2H3;1H


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