2-(fluoranylmethyl)pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 2-(fluoranylmethyl)pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 2-(fluoromethyl)pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 2-(fluoromethyl)pyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 2-(fluoromethyl)pyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 2-(fluoromethyl)pyridin-1-ium tosylate Formula: C13H14FNO3S MolecularWeight: 283.318563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C7H8O3S.C6H6FN/c1-6-2-4-7(5-3-6)11(8,9)10;7-5-6-3-1-2-4-8-6/h2-5H,1H3,(H,8,9,10);1-4H,5H2