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

Systemtic Name: [6-ethyl-3-(4-iodanylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium chloride Openeye Name: [6-ethyl-7-hydroxy-3-(4-iodophenoxy)-2-methyl-4-oxo-chromen-8-yl]methyl-dimethyl-ammonium chloride CAS Name: [6-ethyl-7-hydroxy-3-(4-iodophenoxy)-2-methyl-4-oxo-1-benzopyran-8-yl]methyl-dimethylammonium chloride IUPAC Name: [6-ethyl-7-hydroxy-3-(4-iodophenoxy)-2-methyl-4-oxochromen-8-yl]methyl-dimethylazanium chloride Traditional Name: [6-ethyl-7-hydroxy-3-(4-iodophenoxy)-4-keto-2-methyl-chromen-8-yl]methyl-dimethyl-ammonium chloride Formula: C21H23ClINO4 MolecularWeight: 515.76909

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)OC3=CC=C(C=C3)I)C[NH+](C)C)O.[Cl-]

Isomeric SMILES

CCC1=C(C(=C2C(=C1)C(=O)C(=C(O2)C)OC3=CC=C(C=C3)I)C[NH+](C)C)O.[Cl-]

InChI

InChI=1S/C21H22INO4.ClH/c1-5-13-10-16-19(25)20(27-15-8-6-14(22)7-9-15)12(2)26-21(16)17(18(13)24)11-23(3)4;/h6-10,24H,5,11H2,1-4H3;1H