2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-5-methylsulfonyl-benzimidazol-1-ium ethanoate

Systemtic Name: 2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-5-methylsulfonyl-benzimidazol-1-ium ethanoate Openeye Name: 2-(6-methoxybenzofuran-2-yl)-1,3-dimethyl-5-methylsulfonyl-benzimidazol-1-ium acetate CAS Name: 2-(6-methoxy-2-benzofuranyl)-1,3-dimethyl-5-methylsulfonylbenzimidazol-1-ium acetate IUPAC Name: 2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-5-methylsulfonylbenzimidazol-1-ium acetate Traditional Name: 5-mesyl-2-(6-methoxybenzofuran-2-yl)-1,3-dimethyl-benzimidazol-1-ium acetate Formula: C21H22N2O6S MolecularWeight: 430.47418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)[O-].CN1C2=C(C=CC(=C2)S(=O)(=O)C)[N+](=C1C3=CC4=C(O3)C=C(C=C4)OC)C

Isomeric SMILES

CC(=O)[O-].CN1C2=C(C=CC(=C2)S(=O)(=O)C)[N+](=C1C3=CC4=C(O3)C=C(C=C4)OC)C

InChI

InChI=1S/C19H19N2O4S.C2H4O2/c1-20-15-8-7-14(26(4,22)23)11-16(15)21(2)19(20)18-9-12-5-6-13(24-3)10-17(12)25-18;1-2(3)4/h5-11H,1-4H3;1H3,(H,3,4)/q+1;/p-1