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  • [Synonyms]
    EINECS 262-887-2
    Lactic acid, compound with N-benzyl-1-methyl-N-phenylpiperidin-4-amine (1:1)
    4945-47-5
    61670-09-5

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight371.49314 [g/mol]
    Molecular FormulaC22H31N2O3+
    H-Bond Donor3
    H-Bond Acceptor4
    Rotatable Bond Count5
    Exact Mass371.233468
    MonoIsotopic Mass371.233468
    Topological Polar Surface Area69.6
    Heavy Atom Count27
    Formal Charge1
    Complexity354
    Isotope Atom Count0
    Defined Atom StereoCenter Count0
    Undefined Atom StereoCenter Count1
    Defined Bond StereoCenter Count0
    Undefined Bond StereoCenter Count0
    Covalently-Bonded Unit Count2

    [ Descriptors Computed from Structure]
    IUPAC Name: 1-benzyl-1-methyl-N-phenylpiperidin-1-ium-4-amine; 2-hydroxypropanoic
    acid
    Canonical SMILES: CC(C(=O)O)O.C[N+]1(CCC(CC1)NC2=CC=CC=C2)CC3=CC=CC=C3
    InChI: InChI=1/C19H25N2.C3H6O3/c1-21(16-17-8-4-2-5-9-17)14-12-19(13-15-21)20-
    18-10-6-3-7-11-18;1-2(4)3(5)6/h2-11,19-20H,12-16H2,1H3;2,4H,1H3,(H,5,
    6)/q+1;/f/h;5H



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