6,8-bis(bromanyl)-3-[2-(4-methylpyridin-1-ium-1-yl)ethanoyl]chromen-2-one bromide

Systemtic Name: 6,8-bis(bromanyl)-3-[2-(4-methylpyridin-1-ium-1-yl)ethanoyl]chromen-2-one bromide Openeye Name: 6,8-dibromo-3-[2-(4-methylpyridin-1-ium-1-yl)acetyl]chromen-2-one bromide CAS Name: 6,8-dibromo-3-[2-(4-methyl-1-pyridin-1-iumyl)-1-oxoethyl]-1-benzopyran-2-one bromide IUPAC Name: 6,8-dibromo-3-[2-(4-methylpyridin-1-ium-1-yl)acetyl]chromen-2-one bromide Traditional Name: 6,8-dibromo-3-[2-(4-methylpyridin-1-ium-1-yl)acetyl]coumarin bromide Formula: C17H12Br3NO3 MolecularWeight: 517.99408

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C=C1)CC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br.[Br-]

Isomeric SMILES

CC1=CC=[N+](C=C1)CC(=O)C2=CC3=CC(=CC(=C3OC2=O)Br)Br.[Br-]

InChI

InChI=1S/C17H12Br2NO3.BrH/c1-10-2-4-20(5-3-10)9-15(21)13-7-11-6-12(18)8-14(19)16(11)23-17(13)22;/h2-8H,9H2,1H3;1H/q+1;/p-1