2-(2,2-dimethyl-3,5-diphenyl-4H-pyrazol-2-ium-3-yl)-1-phenyl-ethanone tetrafluoroborate

Systemtic Name: 2-(2,2-dimethyl-3,5-diphenyl-4H-pyrazol-2-ium-3-yl)-1-phenyl-ethanone tetrafluoroborate Openeye Name: 2-(2,2-dimethyl-3,5-diphenyl-4H-pyrazol-2-ium-3-yl)-1-phenyl-ethanone tetrafluoroborate CAS Name: 2-(2,2-dimethyl-3,5-diphenyl-4H-pyrazol-2-ium-3-yl)-1-phenylethanone tetrafluoroborate IUPAC Name: 2-(2,2-dimethyl-3,5-diphenyl-4H-pyrazol-2-ium-3-yl)-1-phenylethanone tetrafluoroborate Traditional Name: 2-(2,2-dimethyl-3,5-diphenyl-2-pyrazolin-2-ium-3-yl)-1-phenyl-ethanone tetrafluoroborate Formula: C25H25BF4N2O MolecularWeight: 456.283413

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C[N+]1(C(CC(=N1)C2=CC=CC=C2)(CC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C

Isomeric SMILES

[B-](F)(F)(F)F.C[N+]1(C(CC(=N1)C2=CC=CC=C2)(CC(=O)C3=CC=CC=C3)C4=CC=CC=C4)C

InChI

InChI=1S/C25H25N2O.BF4/c1-27(2)25(22-16-10-5-11-17-22,19-24(28)21-14-8-4-9-15-21)18-23(26-27)20-12-6-3-7-13-20;2-1(3,4)5/h3-17H,18-19H2,1-2H3;/q+1;-1