dimethyl-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium

Systemtic Name: dimethyl-[[(2Z)-6-oxidanyl-3-oxidanylidene-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-7-yl]methyl]azanium Openeye Name: [(2Z)-6-hydroxy-2-[(4-isopropylphenyl)methylene]-3-oxo-benzofuran-7-yl]methyl-dimethyl-ammonium CAS Name: [(2Z)-6-hydroxy-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-7-benzofuranyl]methyl-dimethylammonium IUPAC Name: [(2Z)-6-hydroxy-3-oxo-2-[(4-propan-2-ylphenyl)methylidene]-1-benzofuran-7-yl]methyl-dimethylazanium Traditional Name: [(2Z)-6-hydroxy-2-(4-isopropylbenzylidene)-3-keto-coumaran-7-yl]methyl-dimethyl-ammonium Formula: C21H24NO3+ MolecularWeight: 338.42016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C=C2C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](C)C

Isomeric SMILES

CC(C)C1=CC=C(C=C1)/C=C\2/C(=O)C3=C(O2)C(=C(C=C3)O)C[NH+](C)C

InChI

InChI=1S/C21H23NO3/c1-13(2)15-7-5-14(6-8-15)11-19-20(24)16-9-10-18(23)17(12-22(3)4)21(16)25-19/h5-11,13,23H,12H2,1-4H3/p+1/b19-11-