2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-5-methylsulfonyl-1,2-dihydrobenzimidazol-1-ium; methyl sulfate

Systemtic Name: 2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-5-methylsulfonyl-1,2-dihydrobenzimidazol-1-ium; methyl sulfate Openeye Name: 2-(6-methoxybenzofuran-2-yl)-1,3-dimethyl-5-methylsulfonyl-1,2-dihydrobenzimidazol-1-ium; methyl sulfate CAS Name: 2-(6-methoxy-2-benzofuranyl)-1,3-dimethyl-5-methylsulfonyl-1,2-dihydrobenzimidazol-1-ium; methyl sulfate IUPAC Name: 2-(6-methoxy-1-benzofuran-2-yl)-1,3-dimethyl-5-methylsulfonyl-1,2-dihydrobenzimidazol-1-ium; methyl sulfate Traditional Name: 5-mesyl-2-(6-methoxybenzofuran-2-yl)-1,3-dimethyl-1,2-dihydrobenzimidazol-1-ium; methyl sulfate Formula: C20H24N2O8S2 MolecularWeight: 484.54316

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1C(N(C2=C1C=CC(=C2)S(=O)(=O)C)C)C3=CC4=C(O3)C=C(C=C4)OC.COS(=O)(=O)[O-]

Isomeric SMILES

C[NH+]1C(N(C2=C1C=CC(=C2)S(=O)(=O)C)C)C3=CC4=C(O3)C=C(C=C4)OC.COS(=O)(=O)[O-]

InChI

InChI=1S/C19H20N2O4S.CH4O4S/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;1-5-6(2,3)4/h5-11,19H,1-4H3;1H3,(H,2,3,4)