6-bromanyl-3-methyl-3-piperidin-1-ium-1-yl-2H-chromen-4-one bromide

Systemtic Name: 6-bromanyl-3-methyl-3-piperidin-1-ium-1-yl-2H-chromen-4-one bromide Openeye Name: 6-bromo-3-methyl-3-piperidin-1-ium-1-yl-chroman-4-one bromide CAS Name: 6-bromo-3-methyl-3-(1-piperidin-1-iumyl)-3,4-dihydro-2H-1-benzopyran-4-one bromide IUPAC Name: 6-bromo-3-methyl-3-piperidin-1-ium-1-yl-2H-chromen-4-one bromide Traditional Name: 6-bromo-3-methyl-3-piperidin-1-ium-1-yl-chroman-4-one bromide Formula: C15H19Br2NO2 MolecularWeight: 405.12486

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Descriptors Computed from Structure

Canonical SMILES:

CC1(COC2=C(C1=O)C=C(C=C2)Br)[NH+]3CCCCC3.[Br-]

Isomeric SMILES

CC1(COC2=C(C1=O)C=C(C=C2)Br)[NH+]3CCCCC3.[Br-]

InChI

InChI=1S/C15H18BrNO2.BrH/c1-15(17-7-3-2-4-8-17)10-19-13-6-5-11(16)9-12(13)14(15)18;/h5-6,9H,2-4,7-8,10H2,1H3;1H