Free Chemical Databases
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[Synonyms]
[Structure]
[ Properties Computed from Structure]
Molecular Weight 270.3462 [g/mol] Molecular Formula C17H20NO2+ H-Bond Donor 0 H-Bond Acceptor 2 Rotatable Bond Count 4 Exact Mass 270.149404 MonoIsotopic Mass 270.149404 Topological Polar Surface Area 26.3 Heavy Atom Count 20 Formal Charge 1 Complexity 326 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: trimethyl-[3-(4-methylbenzoyl)oxyphenyl]azanium
Canonical SMILES: CC1=CC=C(C=C1)C(=O)OC2=CC=CC(=C2)[N+](C)(C)C
InChI: InChI=1/C17H20NO2/c1-13-8-10-14(11-9-13)17(19)20-16-7-5-6-15(12-16)18(2,
3)4/h5-12H,1-4H3/q+1
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