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

Systemtic Name: 3-[2-[3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-chromen-7-yl]oxypropyl-trimethyl-azanium chloride Openeye Name: 3-[2-(3,4-dihydroxyphenyl)-4-oxo-chromen-7-yl]oxypropyl-trimethyl-ammonium chloride CAS Name: 3-[[2-(3,4-dihydroxyphenyl)-4-oxo-1-benzopyran-7-yl]oxy]propyl-trimethylammonium chloride IUPAC Name: 3-[2-(3,4-dihydroxyphenyl)-4-oxochromen-7-yl]oxypropyl-trimethylazanium chloride Traditional Name: 3-[2-(3,4-dihydroxyphenyl)-4-keto-chromen-7-yl]oxypropyl-trimethyl-ammonium chloride Formula: C21H24ClNO5 MolecularWeight: 405.87196

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O.[Cl-]

Isomeric SMILES

C[N+](C)(C)CCCOC1=CC2=C(C=C1)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O.[Cl-]

InChI

InChI=1S/C21H23NO5.ClH/c1-22(2,3)9-4-10-26-15-6-7-16-18(24)13-20(27-21(16)12-15)14-5-8-17(23)19(25)11-14;/h5-8,11-13H,4,9-10H2,1-3H3,(H-,23,24,25);1H