3-(1-propylpyridin-1-ium-4-yl)-5-(trifluoromethyl)-1,2-oxazole

Systemtic Name: 3-(1-propylpyridin-1-ium-4-yl)-5-(trifluoromethyl)-1,2-oxazole Openeye Name: 3-(1-propylpyridin-1-ium-4-yl)-5-(trifluoromethyl)isoxazole CAS Name: 3-(1-propyl-4-pyridin-1-iumyl)-5-(trifluoromethyl)isoxazole IUPAC Name: 3-(1-propylpyridin-1-ium-4-yl)-5-(trifluoromethyl)-1,2-oxazole Traditional Name: 3-(1-propylpyridin-1-ium-4-yl)-5-(trifluoromethyl)isoxazole Formula: C12H12F3N2O+ MolecularWeight: 257.23169

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Descriptors Computed from Structure

Canonical SMILES:

CCC[N+]1=CC=C(C=C1)C2=NOC(=C2)C(F)(F)F

Isomeric SMILES

CCC[N+]1=CC=C(C=C1)C2=NOC(=C2)C(F)(F)F

InChI

InChI=1S/C12H12F3N2O/c1-2-5-17-6-3-9(4-7-17)10-8-11(18-16-10)12(13,14)15/h3-4,6-8H,2,5H2,1H3/q+1