[4-[2-(4-hydroxyphenyl)-4-oxidanylidene-chromen-3-yl]oxy-4-oxidanylidene-butyl]-trimethyl-azanium chloride

Systemtic Name: [4-[2-(4-hydroxyphenyl)-4-oxidanylidene-chromen-3-yl]oxy-4-oxidanylidene-butyl]-trimethyl-azanium chloride Openeye Name: [4-[2-(4-hydroxyphenyl)-4-oxo-chromen-3-yl]oxy-4-oxo-butyl]-trimethyl-ammonium chloride CAS Name: [4-[[2-(4-hydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]-4-oxobutyl]-trimethylammonium chloride IUPAC Name: [4-[2-(4-hydroxyphenyl)-4-oxochromen-3-yl]oxy-4-oxobutyl]-trimethylazanium chloride Traditional Name: [4-[2-(4-hydroxyphenyl)-4-keto-chromen-3-yl]oxy-4-keto-butyl]-trimethyl-ammonium chloride Formula: C22H24ClNO5 MolecularWeight: 417.88266

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCC(=O)OC1=C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)O.[Cl-]

Isomeric SMILES

C[N+](C)(C)CCCC(=O)OC1=C(OC2=CC=CC=C2C1=O)C3=CC=C(C=C3)O.[Cl-]

InChI

InChI=1S/C22H23NO5.ClH/c1-23(2,3)14-6-9-19(25)28-22-20(26)17-7-4-5-8-18(17)27-21(22)15-10-12-16(24)13-11-15;/h4-5,7-8,10-13H,6,9,14H2,1-3H3;1H