1-methyl-4-[3,3,3-tris(fluoranyl)propyl]-1,2,4-triazol-4-ium

Systemtic Name: 1-methyl-4-[3,3,3-tris(fluoranyl)propyl]-1,2,4-triazol-4-ium Openeye Name: 1-methyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium CAS Name: 1-methyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium IUPAC Name: 1-methyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium Traditional Name: 1-methyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium Formula: C6H9F3N3+ MolecularWeight: 180.15097

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=[N+](C=N1)CCC(F)(F)F

Isomeric SMILES

CN1C=[N+](C=N1)CCC(F)(F)F

InChI

InChI=1S/C6H9F3N3/c1-11-5-12(4-10-11)3-2-6(7,8)9/h4-5H,2-3H2,1H3/q+1