[3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium chloride

Systemtic Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium chloride Openeye Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl-dimethylammonium chloride IUPAC Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl-dimethylazanium chloride Traditional Name: [3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-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:

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](C)C)C3=CC4=C(C=C3)OCCCO4.[Cl-]

Isomeric SMILES

CC1=C(C(=O)C2=C(O1)C(=C(C=C2)O)C[NH+](C)C)C3=CC4=C(C=C3)OCCCO4.[Cl-]

InChI

InChI=1S/C22H23NO5.ClH/c1-13-20(14-5-8-18-19(11-14)27-10-4-9-26-18)21(25)15-6-7-17(24)16(12-23(2)3)22(15)28-13;/h5-8,11,24H,4,9-10,12H2,1-3H3;1H