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

Systemtic Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-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-2-methyl-4-oxo-6-propyl-chromen-8-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methyl-4-oxo-6-propyl-1-benzopyran-8-yl]methyl-dimethylammonium chloride IUPAC Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-2-methyl-4-oxo-6-propylchromen-8-yl]methyl-dimethylazanium chloride Traditional Name: [3-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-hydroxy-4-keto-2-methyl-6-propyl-chromen-8-yl]methyl-dimethyl-ammonium chloride Formula: C24H28ClNO5 MolecularWeight: 445.93582

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCO4)C[NH+](C)C)O.[Cl-]

Isomeric SMILES

CCCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCCO4)C[NH+](C)C)O.[Cl-]

InChI

InChI=1S/C24H27NO5.ClH/c1-5-6-16-11-17-23(27)21(15-7-8-19-20(12-15)29-10-9-28-19)14(2)30-24(17)18(22(16)26)13-25(3)4;/h7-8,11-12,26H,5-6,9-10,13H2,1-4H3;1H