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  • [Synonyms]
    EX 4489
    LS-73906
    (2-(2,2,6,6-Tetramethylpiperidino)ethyl)guanidine sulfate (2:1)
    GUANIDINE, (2-(2,2,6,6-TETRAMETHYLPIPERIDINO)ETHYL)-, SULFATE (2:1)
    893-76-5

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight550.80176 [g/mol]
    Molecular FormulaC24H54N8O4S
    H-Bond Donor6
    H-Bond Acceptor10
    Rotatable Bond Count6
    Tautomer Count3
    Exact Mass550.398873
    MonoIsotopic Mass550.398873
    Topological Polar Surface Area218
    Heavy Atom Count37
    Formal Charge0
    Complexity310
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count0
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count3

    [ Descriptors Computed from Structure]
    IUPAC Name: 2-[2-(2,2,6,6-tetramethylpiperidin-1-ium-1-yl)ethyl]guanidine sulfate
    Canonical SMILES: CC1(CCCC([NH+]1CCN=C(N)N)(C)C)C.CC1(CCCC([NH+]1CCN=C(N)N)(C)C)C.[O-]S(=
    O)(=O)[O-]
    InChI: InChI=1/2C12H26N4.H2O4S/c2*1-11(2)6-5-7-12(3,
    4)16(11)9-8-15-10(13)14;1-5(2,3)4/h2*5-9H2,1-4H3,(H4,13,14,15);(H2,1,2,
    3,4)/f2C12H27N4.O4S/h2*16H,13-14H2;/q2*+1;-2



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