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  • 4-(1,7-dimethylquinolin-1-ium-2-yl)-N,N-dimethylaniline,Canonical SMI
  • 发布时间：2004-10-25 来源：本站整理
  • [Synonyms]

    [Structure]
    4-(1,7-dimethylquinolin-1-ium-2-yl)-N,N-dimethylaniline,Canonical SMI

    [ Properties Computed from Structure]
    Molecular Weight277.38344 [g/mol]
    Molecular FormulaC19H21N2+
    H-Bond Donor0
    H-Bond Acceptor1
    Rotatable Bond Count2
    Exact Mass277.170474
    MonoIsotopic Mass277.170474
    Topological Polar Surface Area7.1
    Heavy Atom Count21
    Formal Charge1
    Complexity333
    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: 4-(1,7-dimethylquinolin-1-ium-2-yl)-N,N-dimethylaniline
    Canonical SMILES: CC1=CC2=C(C=C1)C=CC(=[N+]2C)C3=CC=C(C=C3)N(C)C
    InChI: InChI=1/C19H21N2/c1-14-5-6-16-9-12-18(21(4)19(16)13-14)15-7-10-17(11-8-
    15)20(2)3/h5-13H,1-4H3/q+1

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