[3-(1-benzofuran-2-yl)-8-methyl-7-oxidanyl-4-oxidanylidene-chromen-6-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [3-(1-benzofuran-2-yl)-8-methyl-7-oxidanyl-4-oxidanylidene-chromen-6-yl]methyl-dimethyl-azanium chloride Openeye Name: [3-(benzofuran-2-yl)-7-hydroxy-8-methyl-4-oxo-chromen-6-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-(2-benzofuranyl)-7-hydroxy-8-methyl-4-oxo-1-benzopyran-6-yl]methyl-dimethylammonium chloride IUPAC Name: [3-(1-benzofuran-2-yl)-7-hydroxy-8-methyl-4-oxochromen-6-yl]methyl-dimethylazanium chloride Traditional Name: [3-(benzofuran-2-yl)-7-hydroxy-4-keto-8-methyl-chromen-6-yl]methyl-dimethyl-ammonium chloride Formula: C21H20ClNO4 MolecularWeight: 385.8408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1O)C[NH+](C)C)C(=O)C(=CO2)C3=CC4=CC=CC=C4O3.[Cl-]

Isomeric SMILES

CC1=C2C(=CC(=C1O)C[NH+](C)C)C(=O)C(=CO2)C3=CC4=CC=CC=C4O3.[Cl-]

InChI

InChI=1S/C21H19NO4.ClH/c1-12-19(23)14(10-22(2)3)8-15-20(24)16(11-25-21(12)15)18-9-13-6-4-5-7-17(13)26-18;/h4-9,11,23H,10H2,1-3H3;1H