trimethyl-(2-methyl-3-oxidanylidene-1-benzofuran-5-yl)azanium iodide

Systemtic Name: trimethyl-(2-methyl-3-oxidanylidene-1-benzofuran-5-yl)azanium iodide Openeye Name: trimethyl-(2-methyl-3-oxo-benzofuran-5-yl)ammonium iodide CAS Name: trimethyl-(2-methyl-3-oxo-5-benzofuranyl)ammonium iodide IUPAC Name: trimethyl-(2-methyl-3-oxo-1-benzofuran-5-yl)azanium iodide Traditional Name: (3-keto-2-methyl-coumaran-5-yl)-trimethyl-ammonium iodide Formula: C12H16INO2 MolecularWeight: 333.16541

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(=O)C2=C(O1)C=CC(=C2)[N+](C)(C)C.[I-]

Isomeric SMILES

CC1C(=O)C2=C(O1)C=CC(=C2)[N+](C)(C)C.[I-]

InChI

InChI=1S/C12H16NO2.HI/c1-8-12(14)10-7-9(13(2,3)4)5-6-11(10)15-8;/h5-8H,1-4H3;1H/q+1;/p-1