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

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-oxidanylidene-1-benzofuran-5-yl]-trimethyl-azanium iodide Openeye Name: [2-(hydroxymethyl)-2-methyl-3-oxo-benzofuran-5-yl]-trimethyl-ammonium iodide CAS Name: [2-(hydroxymethyl)-2-methyl-3-oxo-5-benzofuranyl]-trimethylammonium iodide IUPAC Name: [2-(hydroxymethyl)-2-methyl-3-oxo-1-benzofuran-5-yl]-trimethylazanium iodide Traditional Name: (3-keto-2-methyl-2-methylol-coumaran-5-yl)-trimethyl-ammonium iodide Formula: C13H18INO3 MolecularWeight: 363.19139

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=C(O1)C=CC(=C2)[N+](C)(C)C)CO.[I-]

Isomeric SMILES

CC1(C(=O)C2=C(O1)C=CC(=C2)[N+](C)(C)C)CO.[I-]

InChI

InChI=1S/C13H18NO3.HI/c1-13(8-15)12(16)10-7-9(14(2,3)4)5-6-11(10)17-13;/h5-7,15H,8H2,1-4H3;1H/q+1;/p-1