5,6-dimethyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1H-benzimidazole tetrafluoroborate

Systemtic Name: 5,6-dimethyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1H-benzimidazole tetrafluoroborate Openeye Name: 5,6-dimethyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1H-benzimidazole tetrafluoroborate CAS Name: 5,6-dimethyl-2-(2,4,6-triphenyl-1-pyridin-1-iumyl)-1H-benzimidazole tetrafluoroborate IUPAC Name: 5,6-dimethyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1H-benzimidazole tetrafluoroborate Traditional Name: 5,6-dimethyl-2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1H-benzimidazole tetrafluoroborate Formula: C32H26BF4N3 MolecularWeight: 539.373553

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Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.CC1=CC2=C(C=C1C)N=C(N2)[N+]3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

Isomeric SMILES

[B-](F)(F)(F)F.CC1=CC2=C(C=C1C)N=C(N2)[N+]3=C(C=C(C=C3C4=CC=CC=C4)C5=CC=CC=C5)C6=CC=CC=C6

InChI

InChI=1S/C32H26N3.BF4/c1-22-18-28-29(19-23(22)2)34-32(33-28)35-30(25-14-8-4-9-15-25)20-27(24-12-6-3-7-13-24)21-31(35)26-16-10-5-11-17-26;2-1(3,4)5/h3-21H,1-2H3,(H,33,34);/q+1;-1