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

Systemtic Name: [2-(hydroxymethyl)-2-methyl-3-oxidanylidene-1-benzofuran-5-yl]-trimethyl-azanium Openeye Name: [2-(hydroxymethyl)-2-methyl-3-oxo-benzofuran-5-yl]-trimethyl-ammonium CAS Name: [2-(hydroxymethyl)-2-methyl-3-oxo-5-benzofuranyl]-trimethylammonium IUPAC Name: [2-(hydroxymethyl)-2-methyl-3-oxo-1-benzofuran-5-yl]-trimethylazanium Traditional Name: (3-keto-2-methyl-2-methylol-coumaran-5-yl)-trimethyl-ammonium Formula: C13H18NO3+ MolecularWeight: 236.28692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18NO3/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/q+1