2-[(3-methoxyphenyl)methylsulfanyl]-1-methyl-pyridin-1-ium chloride

Systemtic Name: 2-[(3-methoxyphenyl)methylsulfanyl]-1-methyl-pyridin-1-ium chloride Openeye Name: 2-[(3-methoxyphenyl)methylsulfanyl]-1-methyl-pyridin-1-ium chloride CAS Name: 2-[(3-methoxyphenyl)methylthio]-1-methylpyridin-1-ium chloride IUPAC Name: 2-[(3-methoxyphenyl)methylsulfanyl]-1-methylpyridin-1-ium chloride Traditional Name: 2-(m-anisylthio)-1-methyl-pyridin-1-ium chloride Formula: C14H16ClNOS MolecularWeight: 281.80094

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC=C1SCC2=CC(=CC=C2)OC.[Cl-]

Isomeric SMILES

C[N+]1=CC=CC=C1SCC2=CC(=CC=C2)OC.[Cl-]

InChI

InChI=1S/C14H16NOS.ClH/c1-15-9-4-3-8-14(15)17-11-12-6-5-7-13(10-12)16-2;/h3-10H,11H2,1-2H3;1H/q+1;/p-1