7-[(2-methoxy-2-methyl-propyl)sulfanylmethyl]-2-(4-methoxypyridin-2-yl)-3-(trifluoromethyl)-1H-benzimidazol-3-ium

Systemtic Name: 7-[(2-methoxy-2-methyl-propyl)sulfanylmethyl]-2-(4-methoxypyridin-2-yl)-3-(trifluoromethyl)-1H-benzimidazol-3-ium Openeye Name: 7-[(2-methoxy-2-methyl-propyl)sulfanylmethyl]-2-(4-methoxy-2-pyridyl)-3-(trifluoromethyl)-1H-benzimidazol-3-ium CAS Name: 7-[[(2-methoxy-2-methylpropyl)thio]methyl]-2-(4-methoxy-2-pyridinyl)-3-(trifluoromethyl)-1H-benzimidazol-3-ium IUPAC Name: 7-[(2-methoxy-2-methylpropyl)sulfanylmethyl]-2-(4-methoxypyridin-2-yl)-3-(trifluoromethyl)-1H-benzimidazol-3-ium Traditional Name: 7-[[(2-methoxy-2-methyl-propyl)thio]methyl]-2-(4-methoxy-2-pyridyl)-3-(trifluoromethyl)-1H-benzimidazol-3-ium Formula: C20H23F3N3O2S+ MolecularWeight: 426.47573

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CSCC1=C2C(=CC=C1)[N+](=C(N2)C3=NC=CC(=C3)OC)C(F)(F)F)OC

Isomeric SMILES

CC(C)(CSCC1=C2C(=CC=C1)[N+](=C(N2)C3=NC=CC(=C3)OC)C(F)(F)F)OC

InChI

InChI=1S/C20H22F3N3O2S/c1-19(2,28-4)12-29-11-13-6-5-7-16-17(13)25-18(26(16)20(21,22)23)15-10-14(27-3)8-9-24-15/h5-10H,11-12H2,1-4H3/p+1