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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium chloride Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-chromen-8-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-1-benzopyran-8-yl]methyl-dimethylammonium chloride IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxochromen-8-yl]methyl-dimethylazanium chloride Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-keto-chromen-8-yl]methyl-dimethyl-ammonium chloride Formula: C20H20ClNO5 MolecularWeight: 389.8295

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC4=C(C=C3)OCCO4)O.[Cl-]

Isomeric SMILES

C[NH+](C)CC1=C(C=CC2=C1OC=C(C2=O)C3=CC4=C(C=C3)OCCO4)O.[Cl-]

InChI

InChI=1S/C20H19NO5.ClH/c1-21(2)10-14-16(22)5-4-13-19(23)15(11-26-20(13)14)12-3-6-17-18(9-12)25-8-7-24-17;/h3-6,9,11,22H,7-8,10H2,1-2H3;1H