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

Systemtic Name: 3-[2-[3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-chromen-3-yl]oxypropyl-trimethyl-azanium bromide Openeye Name: 3-[2-(3,4-dihydroxyphenyl)-4-oxo-chromen-3-yl]oxypropyl-trimethyl-ammonium bromide CAS Name: 3-[[2-(3,4-dihydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]propyl-trimethylammonium bromide IUPAC Name: 3-[2-(3,4-dihydroxyphenyl)-4-oxochromen-3-yl]oxypropyl-trimethylazanium bromide Traditional Name: 3-[2-(3,4-dihydroxyphenyl)-4-keto-chromen-3-yl]oxypropyl-trimethyl-ammonium bromide Formula: C21H24BrNO5 MolecularWeight: 450.32296

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCOC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)O)O.[Br-]

Isomeric SMILES

C[N+](C)(C)CCCOC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)O)O.[Br-]

InChI

InChI=1S/C21H23NO5.BrH/c1-22(2,3)11-6-12-26-21-19(25)15-7-4-5-8-18(15)27-20(21)14-9-10-16(23)17(24)13-14;/h4-5,7-10,13H,6,11-12H2,1-3H3,(H-,23,24,25);1H