2-[3-(2-fluorophenyl)-1-methyl-pyridin-1-ium-2-yl]-1,3-oxazole; 4-methylbenzenesulfonate

Systemtic Name: 2-[3-(2-fluorophenyl)-1-methyl-pyridin-1-ium-2-yl]-1,3-oxazole; 4-methylbenzenesulfonate Openeye Name: 2-[3-(2-fluorophenyl)-1-methyl-pyridin-1-ium-2-yl]oxazole; 4-methylbenzenesulfonate CAS Name: 2-[3-(2-fluorophenyl)-1-methyl-2-pyridin-1-iumyl]oxazole; 4-methylbenzenesulfonate IUPAC Name: 2-[3-(2-fluorophenyl)-1-methylpyridin-1-ium-2-yl]-1,3-oxazole; 4-methylbenzenesulfonate Traditional Name: 2-[3-(2-fluorophenyl)-1-methyl-pyridin-1-ium-2-yl]oxazole tosylate Formula: C22H19FN2O4S MolecularWeight: 426.460663

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1C2=NC=CO2)C3=CC=CC=C3F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC(=C1C2=NC=CO2)C3=CC=CC=C3F

InChI

InChI=1S/C15H12FN2O.C7H8O3S/c1-18-9-4-6-12(11-5-2-3-7-13(11)16)14(18)15-17-8-10-19-15;1-6-2-4-7(5-3-6)11(8,9)10/h2-10H,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1