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

Systemtic Name: 2-fluoranyl-2,3-dimethyl-1H-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 2-fluoro-2,3-dimethyl-1H-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 2-fluoro-2,3-dimethyl-1H-pyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 2-fluoro-2,3-dimethyl-1H-pyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 2-fluoro-2,3-dimethyl-1H-pyridin-1-ium tosylate Formula: C14H18FNO3S MolecularWeight: 299.361023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C[NH2+]C1(C)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C[NH2+]C1(C)F

InChI

InChI=1S/C7H10FN.C7H8O3S/c1-6-4-3-5-9-7(6,2)8;1-6-2-4-7(5-3-6)11(8,9)10/h3-5,9H,1-2H3;2-5H,1H3,(H,8,9,10)