5-(4-fluorophenyl)-4-methyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; 4-methylbenzenesulfonate

Systemtic Name: 5-(4-fluorophenyl)-4-methyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; 4-methylbenzenesulfonate Openeye Name: 5-(4-fluorophenyl)-4-methyl-2-(1-methylpyridin-1-ium-4-yl)oxazole; 4-methylbenzenesulfonate CAS Name: 5-(4-fluorophenyl)-4-methyl-2-(1-methyl-4-pyridin-1-iumyl)oxazole; 4-methylbenzenesulfonate IUPAC Name: 5-(4-fluorophenyl)-4-methyl-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole; 4-methylbenzenesulfonate Traditional Name: 5-(4-fluorophenyl)-4-methyl-2-(1-methylpyridin-1-ium-4-yl)oxazole tosylate Formula: C23H21FN2O4S MolecularWeight: 440.487243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(OC(=N1)C2=CC=[N+](C=C2)C)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=C(OC(=N1)C2=CC=[N+](C=C2)C)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H14FN2O.C7H8O3S/c1-11-15(12-3-5-14(17)6-4-12)20-16(18-11)13-7-9-19(2)10-8-13;1-6-2-4-7(5-3-6)11(8,9)10/h3-10H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1