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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-oxidanyl-4-oxidanylidene-6-propyl-chromen-8-yl]methyl-dimethyl-azanium chloride Openeye Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-6-propyl-chromen-8-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-6-propyl-1-benzopyran-8-yl]methyl-dimethylammonium chloride IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-oxo-6-propylchromen-8-yl]methyl-dimethylazanium chloride Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-keto-6-propyl-chromen-8-yl]methyl-dimethyl-ammonium chloride Formula: C23H26ClNO5 MolecularWeight: 431.90924

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)C[NH+](C)C)O.[Cl-]

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=O)C(=CO2)C3=CC4=C(C=C3)OCCO4)C[NH+](C)C)O.[Cl-]

InChI

InChI=1S/C23H25NO5.ClH/c1-4-5-15-10-16-22(26)18(13-29-23(16)17(21(15)25)12-24(2)3)14-6-7-19-20(11-14)28-9-8-27-19;/h6-7,10-11,13,25H,4-5,8-9,12H2,1-3H3;1H