2-(3-chloranyl-4-oxidanyl-phenyl)-6-methyl-8-(1-methylpyridin-1-ium-4-yl)-3-oxidanyl-chromen-4-one bromide

Systemtic Name: 2-(3-chloranyl-4-oxidanyl-phenyl)-6-methyl-8-(1-methylpyridin-1-ium-4-yl)-3-oxidanyl-chromen-4-one bromide Openeye Name: 2-(3-chloro-4-hydroxy-phenyl)-3-hydroxy-6-methyl-8-(1-methylpyridin-1-ium-4-yl)chromen-4-one bromide CAS Name: 2-(3-chloro-4-hydroxyphenyl)-3-hydroxy-6-methyl-8-(1-methyl-4-pyridin-1-iumyl)-1-benzopyran-4-one bromide IUPAC Name: 2-(3-chloro-4-hydroxyphenyl)-3-hydroxy-6-methyl-8-(1-methylpyridin-1-ium-4-yl)chromen-4-one bromide Traditional Name: 2-(3-chloro-4-hydroxy-phenyl)-3-hydroxy-6-methyl-8-(1-methylpyridin-1-ium-4-yl)chromone bromide Formula: C22H17BrClNO4 MolecularWeight: 474.73168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)Cl)O)C4=CC=[N+](C=C4)C.[Br-]

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C(=C(O2)C3=CC(=C(C=C3)O)Cl)O)C4=CC=[N+](C=C4)C.[Br-]

InChI

InChI=1S/C22H16ClNO4.BrH/c1-12-9-15(13-5-7-24(2)8-6-13)22-16(10-12)19(26)20(27)21(28-22)14-3-4-18(25)17(23)11-14;/h3-11H,1-2H3,(H-,25,26,27);1H