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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=CC=CC(=C1)C2=NC=C(O2)C3=CC=C(C=C3)F.CC1=CC=C(C=C1)S(=O)(=O)[O-]

Isomeric SMILES

CC[N+]1=CC=CC(=C1)C2=NC=C(O2)C3=CC=C(C=C3)F.CC1=CC=C(C=C1)S(=O)(=O)[O-]

InChI

InChI=1S/C16H14FN2O.C7H8O3S/c1-2-19-9-3-4-13(11-19)16-18-10-15(20-16)12-5-7-14(17)8-6-12;1-6-2-4-7(5-3-6)11(8,9)10/h3-11H,2H2,1H3;2-5H,1H3,(H,8,9,10)/q+1;/p-1