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            当前地位: 新太阳城网址 » 材料 » 化学物质数据库 » (2R)-1-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)-3-(phenylmethoxy),pr

            (2R)-1-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)-3-(phenylmethoxy),pr

            放大年夜字体  缩小字体 更新日期:2018-05-07  浏览次数:8
            太阳城集团网址大全: (2R)-1-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)-3-(phenylmethoxy),propan-2-ol,Canonical SMILES: CCC1=[N+](C2=CC=CC=C2N1CC(COCC3=CC=CC=C3)O)C,Isomeric SMILES: CCC1=[N+](C2=CC=CC=C2N1C[C@H](COCC3=CC=CC=C3)O)C,InChI: InChI=1/C20H25N2O2/c1-3-20-21(2)18
            [Synonyms]

            [Structure]
             (2R)-1-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)-3-(phenylmethoxy),pr

            [ Properties Computed from Structure]
            Molecular Weight325.4247 [g/mol]
            Molecular FormulaC20H25N2O2+
            XLogP5.599
            H-Bond Donor1
            H-Bond Acceptor3
            Rotatable Bond Count7
            Tautomer Count2
            Exact Mass325.191603
            MonoIsotopic Mass325.191603
            Topological Polar Surface Area38.3
            Heavy Atom Count24
            Formal Charge1
            Complexity373
            Isotope Atom Count0
            Defined Atom StereoCenter Count1
            Undefined Atom StereoCenter Count0
            Defined Bond StereoCenter Count0
            Undefined Bond StereoCenter Count0
            Covalently-Bonded Unit Count1

            [ Descriptors Computed from Structure]
            IUPAC Name: (2R)-1-(2-ethyl-3-methylbenzimidazol-3-ium-1-yl)-3-(phenylmethoxy)
            propan-2-ol
            Canonical SMILES: CCC1=[N+](C2=CC=CC=C2N1CC(COCC3=CC=CC=C3)O)C
            Isomeric SMILES: CCC1=[N+](C2=CC=CC=C2N1C[C@H](COCC3=CC=CC=C3)O)C
            InChI: InChI=1/C20H25N2O2/c1-3-20-21(2)18-11-7-8-12-19(18)22(20)13-17(23)15-24-
            14-16-9-5-4-6-10-16/h4-12,17,23H,3,13-15H2,1-2H3/q+1/t17-/m1/s1

             
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