3-[2-(4-methylpyridin-1-ium-1-yl)ethanoyl]chromen-2-one bromide

Systemtic Name: 3-[2-(4-methylpyridin-1-ium-1-yl)ethanoyl]chromen-2-one bromide Openeye Name: 3-[2-(4-methylpyridin-1-ium-1-yl)acetyl]chromen-2-one bromide CAS Name: 3-[2-(4-methyl-1-pyridin-1-iumyl)-1-oxoethyl]-1-benzopyran-2-one bromide IUPAC Name: 3-[2-(4-methylpyridin-1-ium-1-yl)acetyl]chromen-2-one bromide Traditional Name: 3-[2-(4-methylpyridin-1-ium-1-yl)acetyl]coumarin bromide Formula: C17H14BrNO3 MolecularWeight: 360.20196

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-]

Isomeric SMILES

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

InChI

InChI=1S/C17H14NO3.BrH/c1-12-6-8-18(9-7-12)11-15(19)14-10-13-4-2-3-5-16(13)21-17(14)20;/h2-10H,11H2,1H3;1H/q+1;/p-1