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  • LS-138296,1-(2-Carboxyethyl)-1-methylpyrrolidinium iodide ethyl ester,
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]
    LS-138296
    1-(2-Carboxyethyl)-1-methylpyrrolidinium iodide ethyl ester
    Pyrrolidinium, 1-(2-carboxyethyl)-1-methyl-, iodide, ethyl ester
    22041-32-3

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight313.17577 [g/mol]
    Molecular FormulaC10H20INO2
    H-Bond Donor0
    H-Bond Acceptor3
    Rotatable Bond Count5
    Exact Mass313.053872
    MonoIsotopic Mass313.053872
    Topological Polar Surface Area26.3
    Heavy Atom Count14
    Formal Charge0
    Complexity174
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: ethyl 3-(1-methylpyrrolidin-1-ium-1-yl)propanoate iodide
    Canonical SMILES: CCOC(=O)CC[N+]1(CCCC1)C.[I-]
    InChI: InChI=1/C10H20NO2.HI/c1-3-13-10(12)6-9-11(2)7-4-5-8-11;/h3-9H2,
    1-2H3;1H/q+1;/p-1/fC10H20NO2.I/h;1h/qm;-1

    ChemDrug版权识别码:118641533643442623437
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