4-(4-methoxyphenyl)-1-(phenylmethyl)-1,2,4-triazol-4-ium tetrafluoroborate

Systemtic Name: 4-(4-methoxyphenyl)-1-(phenylmethyl)-1,2,4-triazol-4-ium tetrafluoroborate Openeye Name: 1-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-4-ium tetrafluoroborate CAS Name: 4-(4-methoxyphenyl)-1-(phenylmethyl)-1,2,4-triazol-4-ium tetrafluoroborate IUPAC Name: 1-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-4-ium tetrafluoroborate Traditional Name: 1-benzyl-4-(4-methoxyphenyl)-1,2,4-triazol-4-ium tetrafluoroborate Formula: C16H16BF4N3O MolecularWeight: 353.122353

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.COC1=CC=C(C=C1)[N+]2=CN(N=C2)CC3=CC=CC=C3

Isomeric SMILES

[B-](F)(F)(F)F.COC1=CC=C(C=C1)[N+]2=CN(N=C2)CC3=CC=CC=C3

InChI

InChI=1S/C16H16N3O.BF4/c1-20-16-9-7-15(8-10-16)18-12-17-19(13-18)11-14-5-3-2-4-6-14;2-1(3,4)5/h2-10,12-13H,11H2,1H3;/q+1;-1