2-[1-(2,2-dimethylpropyl)-4,6-diphenyl-pyridin-1-ium-2-yl]-1,3-benzothiazole

Systemtic Name: 2-[1-(2,2-dimethylpropyl)-4,6-diphenyl-pyridin-1-ium-2-yl]-1,3-benzothiazole Openeye Name: 2-[1-(2,2-dimethylpropyl)-4,6-diphenyl-pyridin-1-ium-2-yl]-1,3-benzothiazole CAS Name: 2-[1-(2,2-dimethylpropyl)-4,6-diphenyl-2-pyridin-1-iumyl]-1,3-benzothiazole IUPAC Name: 2-[1-(2,2-dimethylpropyl)-4,6-diphenylpyridin-1-ium-2-yl]-1,3-benzothiazole Traditional Name: 2-(1-neopentyl-4,6-diphenyl-pyridin-1-ium-2-yl)-1,3-benzothiazole Formula: C29H27N2S+ MolecularWeight: 435.60308

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C[N+]1=C(C=C(C=C1C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C[N+]1=C(C=C(C=C1C2=NC3=CC=CC=C3S2)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C29H27N2S/c1-29(2,3)20-31-25(22-14-8-5-9-15-22)18-23(21-12-6-4-7-13-21)19-26(31)28-30-24-16-10-11-17-27(24)32-28/h4-19H,20H2,1-3H3/q+1