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

Systemtic Name: benzenesulfonate; 5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole Openeye Name: benzenesulfonate; 5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)oxazole CAS Name: benzenesulfonate; 5-(4-fluorophenyl)-2-(1-methyl-4-pyridin-1-iumyl)oxazole IUPAC Name: benzenesulfonate; 5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole Traditional Name: 5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)oxazole besylate Formula: C21H17FN2O4S MolecularWeight: 412.434083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H12FN2O.C6H6O3S/c1-18-8-6-12(7-9-18)15-17-10-14(19-15)11-2-4-13(16)5-3-11;7-10(8,9)6-4-2-1-3-5-6/h2-10H,1H3;1-5H,(H,7,8,9)/q+1;/p-1