2,6-dimethylpyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 2,6-dimethylpyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 2,6-dimethylpyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 2,6-dimethylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 2,6-dimethylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 2,6-dimethylpyridin-1-ium tosylate Formula: C14H17NO3S MolecularWeight: 279.35468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9N.C7H8O3S/c1-6-4-3-5-7(2)8-6;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3;2-5H,1H3,(H,8,9,10)