2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3-benzothiazole tetrafluoroborate

Systemtic Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3-benzothiazole tetrafluoroborate Openeye Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3-benzothiazole tetrafluoroborate CAS Name: 2-(2,4,6-triphenyl-1-pyridin-1-iumyl)-1,3-benzothiazole tetrafluoroborate IUPAC Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3-benzothiazole tetrafluoroborate Traditional Name: 2-(2,4,6-triphenylpyridin-1-ium-1-yl)-1,3-benzothiazole tetrafluoroborate Formula: C30H21BF4N2S MolecularWeight: 528.370753

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6

Isomeric SMILES

[B-](F)(F)(F)F.C1=CC=C(C=C1)C2=CC(=[N+](C(=C2)C3=CC=CC=C3)C4=NC5=CC=CC=C5S4)C6=CC=CC=C6

InChI

InChI=1S/C30H21N2S.BF4/c1-4-12-22(13-5-1)25-20-27(23-14-6-2-7-15-23)32(28(21-25)24-16-8-3-9-17-24)30-31-26-18-10-11-19-29(26)33-30;2-1(3,4)5/h1-21H;/q+1;-1