3-[1-methyl-6-[2,3,6-tris(fluoranyl)hexoxy]pyridin-1-ium-2-yl]-1,2,5-thiadiazole

Systemtic Name: 3-[1-methyl-6-[2,3,6-tris(fluoranyl)hexoxy]pyridin-1-ium-2-yl]-1,2,5-thiadiazole Openeye Name: 3-[1-methyl-6-(2,3,6-trifluorohexoxy)pyridin-1-ium-2-yl]-1,2,5-thiadiazole CAS Name: 3-[1-methyl-6-(2,3,6-trifluorohexoxy)-2-pyridin-1-iumyl]-1,2,5-thiadiazole IUPAC Name: 3-[1-methyl-6-(2,3,6-trifluorohexoxy)pyridin-1-ium-2-yl]-1,2,5-thiadiazole Traditional Name: 3-[1-methyl-6-(2,3,6-trifluorohexoxy)pyridin-1-ium-2-yl]-1,2,5-thiadiazole Formula: C14H17F3N3OS+ MolecularWeight: 332.36449

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC=C1OCC(C(CCCF)F)F)C2=NSN=C2

Isomeric SMILES

C[N+]1=C(C=CC=C1OCC(C(CCCF)F)F)C2=NSN=C2

InChI

InChI=1S/C14H17F3N3OS/c1-20-13(12-8-18-22-19-12)5-2-6-14(20)21-9-11(17)10(16)4-3-7-15/h2,5-6,8,10-11H,3-4,7,9H2,1H3/q+1