3-[2-[3,4-bis(oxidanyl)phenyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxypropyl-trimethyl-azanium chloride

Systemtic Name: 3-[2-[3,4-bis(oxidanyl)phenyl]-7-oxidanyl-4-oxidanylidene-chromen-3-yl]oxypropyl-trimethyl-azanium chloride Openeye Name: 3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-chromen-3-yl]oxypropyl-trimethyl-ammonium chloride CAS Name: 3-[[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxo-1-benzopyran-3-yl]oxy]propyl-trimethylammonium chloride IUPAC Name: 3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-oxochromen-3-yl]oxypropyl-trimethylazanium chloride Traditional Name: 3-[2-(3,4-dihydroxyphenyl)-7-hydroxy-4-keto-chromen-3-yl]oxypropyl-trimethyl-ammonium chloride Formula: C21H24ClNO6 MolecularWeight: 421.87136

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC1=C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O.[Cl-]

Isomeric SMILES

C[N+](C)(C)CCCOC1=C(OC2=C(C1=O)C=CC(=C2)O)C3=CC(=C(C=C3)O)O.[Cl-]

InChI

InChI=1S/C21H23NO6.ClH/c1-22(2,3)9-4-10-27-21-19(26)15-7-6-14(23)12-18(15)28-20(21)13-5-8-16(24)17(25)11-13;/h5-8,11-12H,4,9-10H2,1-3H3,(H2-,23,24,25,26);1H