4-[2-(4-methylphenyl)sulfonylethyl]pyridin-1-ium chloride

Systemtic Name: 4-[2-(4-methylphenyl)sulfonylethyl]pyridin-1-ium chloride Openeye Name: 4-[2-(p-tolylsulfonyl)ethyl]pyridin-1-ium chloride CAS Name: 4-[2-(4-methylphenyl)sulfonylethyl]pyridin-1-ium chloride IUPAC Name: 4-[2-(4-methylphenyl)sulfonylethyl]pyridin-1-ium chloride Traditional Name: 4-(2-tosylethyl)pyridin-1-ium chloride Formula: C14H16ClNO2S MolecularWeight: 297.80034

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC2=CC=[NH+]C=C2.[Cl-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC2=CC=[NH+]C=C2.[Cl-]

InChI

InChI=1S/C14H15NO2S.ClH/c1-12-2-4-14(5-3-12)18(16,17)11-8-13-6-9-15-10-7-13;/h2-7,9-10H,8,11H2,1H3;1H