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  • [Synonyms]

    [Structure]

    [ Properties Computed from Structure]
    Molecular Weight285.36084 [g/mol]
    Molecular FormulaC17H21N2O2+
    H-Bond Donor1
    H-Bond Acceptor2
    Rotatable Bond Count5
    Tautomer Count2
    Exact Mass285.160303
    MonoIsotopic Mass285.160303
    Topological Polar Surface Area38.3
    Heavy Atom Count21
    Formal Charge1
    Complexity332
    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: trimethyl-[3-(phenylmethylcarbamoyloxy)phenyl]azanium
    Canonical SMILES: C[N+](C)(C)C1=CC(=CC=C1)OC(=O)NCC2=CC=CC=C2
    InChI: InChI=1/C17H20N2O2/c1-19(2,
    3)15-10-7-11-16(12-15)21-17(20)18-13-14-8-5-4-6-9-14/h4-12H,13H2,
    1-3H3/p+1/fC17H21N2O2/h18H/q+1



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