Free Chemical Databases
-
[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 208.27682 [g/mol] Molecular Formula C12H18NO2+ H-Bond Donor 1 H-Bond Acceptor 2 Rotatable Bond Count 5 Tautomer Count 2 Exact Mass 208.133754 MonoIsotopic Mass 208.133754 Topological Polar Surface Area 37.3 Heavy Atom Count 15 Formal Charge 1 Complexity 208 Isotope Atom Count 0 Defined Atom StereoCenter Count 0 Undefined Atom StereoCenter Count 0 Defined Bond StereoCenter Count 0 Undefined Bond StereoCenter Count 0 Covalently-Bonded Unit Count 1
[ Descriptors Computed from Structure]
IUPAC Name: 2-hydroxyethyl-dimethyl-(2-oxo-2-phenylethyl)azanium
Canonical SMILES: C[N+](C)(CCO)CC(=O)C1=CC=CC=C1
InChI: InChI=1/C12H18NO2/c1-13(2,8-9-14)10-12(15)11-6-4-3-5-7-11/h3-7,14H,
8-10H2,1-2H3/q+1
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