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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium chloride Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl-dimethylammonium chloride IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl-dimethylazanium chloride Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl-dimethyl-ammonium chloride Formula: C21H22ClNO5 MolecularWeight: 403.85608

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](C)C)C3=CC4=C(C=C3)OCCO4.[Cl-]

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](C)C)C3=CC4=C(C=C3)OCCO4.[Cl-]

InChI

InChI=1S/C21H21NO5.ClH/c1-12-19(13-4-7-17-18(10-13)26-9-8-25-17)20(24)14-5-6-16(23)15(11-22(2)3)21(14)27-12;/h4-7,10,23H,8-9,11H2,1-3H3;1H