5-butyl-1,3-bis(fluoranyl)-1-phenethyl-1,2,4-triazol-1-ium

Systemtic Name: 5-butyl-1,3-bis(fluoranyl)-1-phenethyl-1,2,4-triazol-1-ium Openeye Name: 5-butyl-1,3-difluoro-1-phenethyl-1,2,4-triazol-1-ium CAS Name: 5-butyl-1,3-difluoro-1-phenethyl-1,2,4-triazol-1-ium IUPAC Name: 5-butyl-1,3-difluoro-1-phenethyl-1,2,4-triazol-1-ium Traditional Name: 5-butyl-1,3-difluoro-1-phenethyl-1,2,4-triazol-1-ium Formula: C14H18F2N3+ MolecularWeight: 266.309626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=N[N+]1(CCC2=CC=CC=C2)F)F

Isomeric SMILES

CCCCC1=NC(=N[N+]1(CCC2=CC=CC=C2)F)F

InChI

InChI=1S/C14H18F2N3/c1-2-3-9-13-17-14(15)18-19(13,16)11-10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3/q+1