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  • [Synonyms]
    LS-26659
    1-Dimethylamino-4-phenyl-4-benzoylaminobutane hydrochloride
    N-(alpha-(3-(Dimethylamino)propyl)benzyl)benzamide hydrochloride
    BENZAMIDE, N-(alpha-(3-(DIMETHYLAMINO)PROPYL)BENZYL)-, HYDROCHLORIDE
    51209-36-0

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight332.8676 [g/mol]
    Molecular FormulaC19H25ClN2O
    H-Bond Donor2
    H-Bond Acceptor2
    Rotatable Bond Count7
    Tautomer Count2
    Exact Mass332.165541
    MonoIsotopic Mass332.165541
    Topological Polar Surface Area33.5
    Heavy Atom Count23
    Formal Charge0
    Complexity317
    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: (4-benzamido-4-phenylbutyl)-dimethylazanium chloride
    Canonical SMILES: C[NH+](C)CCCC(C1=CC=CC=C1)NC(=O)C2=CC=CC=C2.[Cl-]
    InChI: InChI=1/C19H24N2O.ClH/c1-21(2)15-9-14-18(16-10-5-3-6-11-16)20-19(22)17-
    12-7-4-8-13-17;/h3-8,10-13,18H,9,14-15H2,1-2H3,(H,20,
    22);1H/fC19H25N2O.Cl/h20-21H;1h/q+1;-1



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