[3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [3-(1,3-benzodioxol-5-yl)-6-ethyl-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium chloride Openeye Name: [3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl-dimethylammonium chloride IUPAC Name: [3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl-dimethylazanium chloride Traditional Name: [3-(1,3-benzodioxol-5-yl)-6-ethyl-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl-dimethyl-ammonium chloride Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCO4)C[NH+](C)C)O.[Cl-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)C3=CC4=C(C=C3)OCO4)C[NH+](C)C)O.[Cl-]

InChI

InChI=1S/C22H23NO5.ClH/c1-5-13-8-15-21(25)19(14-6-7-17-18(9-14)27-11-26-17)12(2)28-22(15)16(20(13)24)10-23(3)4;/h6-9,24H,5,10-11H2,1-4H3;1H