2-[1-oxidanidyl-4-(trifluoromethyl)pyridin-1-ium-3-yl]-4-(propylsulfonylmethyl)-1,3-oxazole

Systemtic Name: 2-[1-oxidanidyl-4-(trifluoromethyl)pyridin-1-ium-3-yl]-4-(propylsulfonylmethyl)-1,3-oxazole Openeye Name: 2-[1-oxido-4-(trifluoromethyl)pyridin-1-ium-3-yl]-4-(propylsulfonylmethyl)oxazole CAS Name: 2-[1-oxido-4-(trifluoromethyl)-3-pyridin-1-iumyl]-4-(propylsulfonylmethyl)oxazole IUPAC Name: 2-[1-oxido-4-(trifluoromethyl)pyridin-1-ium-3-yl]-4-(propylsulfonylmethyl)-1,3-oxazole Traditional Name: 2-[1-oxido-4-(trifluoromethyl)pyridin-1-ium-3-yl]-4-(propylsulfonylmethyl)oxazole Formula: C13H13F3N2O4S MolecularWeight: 350.31353

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Descriptors Computed from Structure

Canonical SMILES:

CCCS(=O)(=O)CC1=COC(=N1)C2=C(C=C[N+](=C2)[O-])C(F)(F)F

Isomeric SMILES

CCCS(=O)(=O)CC1=COC(=N1)C2=C(C=C[N+](=C2)[O-])C(F)(F)F

InChI

InChI=1S/C13H13F3N2O4S/c1-2-5-23(20,21)8-9-7-22-12(17-9)10-6-18(19)4-3-11(10)13(14,15)16/h3-4,6-7H,2,5,8H2,1H3