6-[2-[3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-chromen-3-yl]oxyhexyl-trimethyl-azanium chloride

Systemtic Name: 6-[2-[3,4-bis(oxidanyl)phenyl]-4-oxidanylidene-chromen-3-yl]oxyhexyl-trimethyl-azanium chloride Openeye Name: 6-[2-(3,4-dihydroxyphenyl)-4-oxo-chromen-3-yl]oxyhexyl-trimethyl-ammonium chloride CAS Name: 6-[[2-(3,4-dihydroxyphenyl)-4-oxo-1-benzopyran-3-yl]oxy]hexyl-trimethylammonium chloride IUPAC Name: 6-[2-(3,4-dihydroxyphenyl)-4-oxochromen-3-yl]oxyhexyl-trimethylazanium chloride Traditional Name: 6-[2-(3,4-dihydroxyphenyl)-4-keto-chromen-3-yl]oxyhexyl-trimethyl-ammonium chloride Formula: C24H30ClNO5 MolecularWeight: 447.9517

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CCCCCCOC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)O)O.[Cl-]

Isomeric SMILES

C[N+](C)(C)CCCCCCOC1=C(OC2=CC=CC=C2C1=O)C3=CC(=C(C=C3)O)O.[Cl-]

InChI

InChI=1S/C24H29NO5.ClH/c1-25(2,3)14-8-4-5-9-15-29-24-22(28)18-10-6-7-11-21(18)30-23(24)17-12-13-19(26)20(27)16-17;/h6-7,10-13,16H,4-5,8-9,14-15H2,1-3H3,(H-,26,27,28);1H