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  • [Synonyms]
    LS-187165
    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight147.1955 [g/mol]
    Molecular FormulaC6H15N2O2+
    H-Bond Donor2
    H-Bond Acceptor3
    Rotatable Bond Count4
    Exact Mass147.113353
    MonoIsotopic Mass147.113353
    Topological Polar Surface Area49.3
    Heavy Atom Count10
    Formal Charge1
    Complexity117
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count1

    [ Descriptors Computed from Structure]
    IUPAC Name: (2-carboxyethylamino)-trimethylazanium
    Canonical SMILES: C[N+](C)(C)NCCC(=O)O
    InChI: InChI=1/C6H14N2O2/c1-8(2,3)7-5-4-6(9)10/h7H,4-5H2,
    1-3H3/p+1/fC6H15N2O2/h9H/q+1



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