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

Systemtic Name: [3-(4-ethylphenoxy)-2-methyl-7-oxidanyl-4-oxidanylidene-chromen-8-yl]methyl-dimethyl-azanium chloride Openeye Name: [3-(4-ethylphenoxy)-7-hydroxy-2-methyl-4-oxo-chromen-8-yl]methyl-dimethyl-ammonium chloride CAS Name: [3-(4-ethylphenoxy)-7-hydroxy-2-methyl-4-oxo-1-benzopyran-8-yl]methyl-dimethylammonium chloride IUPAC Name: [3-(4-ethylphenoxy)-7-hydroxy-2-methyl-4-oxochromen-8-yl]methyl-dimethylazanium chloride Traditional Name: [3-(4-ethylphenoxy)-7-hydroxy-4-keto-2-methyl-chromen-8-yl]methyl-dimethyl-ammonium chloride Formula: C21H24ClNO4 MolecularWeight: 389.87256

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C)O)C.[Cl-]

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3C[NH+](C)C)O)C.[Cl-]

InChI

InChI=1S/C21H23NO4.ClH/c1-5-14-6-8-15(9-7-14)26-20-13(2)25-21-16(19(20)24)10-11-18(23)17(21)12-22(3)4;/h6-11,23H,5,12H2,1-4H3;1H