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

Systemtic Name: 1-butyl-4-[3,3,3-tris(fluoranyl)propyl]-1,2,4-triazol-4-ium Openeye Name: 1-butyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium CAS Name: 1-butyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium IUPAC Name: 1-butyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium Traditional Name: 1-butyl-4-(3,3,3-trifluoropropyl)-1,2,4-triazol-4-ium Formula: C9H15F3N3+ MolecularWeight: 222.23071

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=[N+](C=N1)CCC(F)(F)F

Isomeric SMILES

CCCCN1C=[N+](C=N1)CCC(F)(F)F

InChI

InChI=1S/C9H15F3N3/c1-2-3-5-15-8-14(7-13-15)6-4-9(10,11)12/h7-8H,2-6H2,1H3/q+1