2-fluoranyl-1,3-dimethyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 2-fluoranyl-1,3-dimethyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 2-fluoro-1,3-dimethyl-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 2-fluoro-1,3-dimethylpyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 2-fluoro-1,3-dimethylpyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 2-fluoro-1,3-dimethyl-pyridin-1-ium tosylate Formula: C14H16FNO3S MolecularWeight: 297.345143

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H9FN.C7H8O3S/c1-6-4-3-5-9(2)7(6)8;1-6-2-4-7(5-3-6)11(8,9)10/h3-5H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1