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

          (2S)-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:1
          太阳城集团网址大全: (2S)-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)1
          [Synonyms]

          [Structure]
           (2S)-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: (2S)-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-/m0/s1

           
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