1-ethyl-2-fluoranyl-pyridin-1-ium; 4-methylbenzenesulfonate

Systemtic Name: 1-ethyl-2-fluoranyl-pyridin-1-ium; 4-methylbenzenesulfonate Openeye Name: 1-ethyl-2-fluoro-pyridin-1-ium; 4-methylbenzenesulfonate CAS Name: 1-ethyl-2-fluoropyridin-1-ium; 4-methylbenzenesulfonate IUPAC Name: 1-ethyl-2-fluoropyridin-1-ium; 4-methylbenzenesulfonate Traditional Name: 1-ethyl-2-fluoro-pyridin-1-ium tosylate Formula: C14H16FNO3S MolecularWeight: 297.345143

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC=C1F.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC=CC=C1F.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C7H9FN.C7H8O3S/c1-2-9-6-4-3-5-7(9)8;1-6-2-4-7(5-3-6)11(8,9)10/h3-6H,2H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1