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

Systemtic Name: benzenesulfonic acid; 5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole Openeye Name: benzenesulfonic acid; 5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)oxazole CAS Name: benzenesulfonic acid; 5-(4-fluorophenyl)-2-(1-methyl-4-pyridin-1-iumyl)oxazole IUPAC Name: benzenesulfonic acid; 5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)-1,3-oxazole Traditional Name: besylic acid; 5-(4-fluorophenyl)-2-(1-methylpyridin-1-ium-4-yl)oxazole Formula: C21H18FN2O4S+ MolecularWeight: 413.442023

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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;