1-methyl-3-phenyl-4,5-dihydro-1,2,3-triazol-1-ium tetrafluoroborate

Systemtic Name: 1-methyl-3-phenyl-4,5-dihydro-1,2,3-triazol-1-ium tetrafluoroborate Openeye Name: 1-methyl-3-phenyl-4,5-dihydrotriazol-1-ium tetrafluoroborate CAS Name: 1-methyl-3-phenyl-4,5-dihydrotriazol-1-ium tetrafluoroborate IUPAC Name: 1-methyl-3-phenyl-4,5-dihydrotriazol-1-ium tetrafluoroborate Traditional Name: 1-methyl-3-phenyl-4,5-dihydrotriazol-1-ium tetrafluoroborate Formula: C9H12BF4N3 MolecularWeight: 249.016293

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1=NN(CC1)C2=CC=CC=C2

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1=NN(CC1)C2=CC=CC=C2

InChI

InChI=1S/C9H12N3.BF4/c1-11-7-8-12(10-11)9-5-3-2-4-6-9;2-1(3,4)5/h2-6H,7-8H2,1H3;/q+1;-1