[6,8-bis(bromanyl)-3-methyl-4-oxidanylidene-2H-chromen-3-yl]methyl-diethyl-azanium bromide

Systemtic Name: [6,8-bis(bromanyl)-3-methyl-4-oxidanylidene-2H-chromen-3-yl]methyl-diethyl-azanium bromide Openeye Name: (6,8-dibromo-3-methyl-4-oxo-chroman-3-yl)methyl-diethyl-ammonium bromide CAS Name: (6,8-dibromo-3-methyl-4-oxo-3,4-dihydro-2H-1-benzopyran-3-yl)methyl-diethylammonium bromide IUPAC Name: (6,8-dibromo-3-methyl-4-oxo-2H-chromen-3-yl)methyl-diethylazanium bromide Traditional Name: (6,8-dibromo-4-keto-3-methyl-chroman-3-yl)methyl-diethyl-ammonium bromide Formula: C15H20Br3NO2 MolecularWeight: 486.0368

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)CC1(COC2=C(C=C(C=C2C1=O)Br)Br)C.[Br-]

Isomeric SMILES

CC[NH+](CC)CC1(COC2=C(C=C(C=C2C1=O)Br)Br)C.[Br-]

InChI

InChI=1S/C15H19Br2NO2.BrH/c1-4-18(5-2)8-15(3)9-20-13-11(14(15)19)6-10(16)7-12(13)17;/h6-7H,4-5,8-9H2,1-3H3;1H