6,8-bis(bromanyl)-3-(2-pyridin-1-ium-1-ylethanoyl)chromen-2-one bromide

Systemtic Name: 6,8-bis(bromanyl)-3-(2-pyridin-1-ium-1-ylethanoyl)chromen-2-one bromide Openeye Name: 6,8-dibromo-3-(2-pyridin-1-ium-1-ylacetyl)chromen-2-one bromide CAS Name: 6,8-dibromo-3-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-1-benzopyran-2-one bromide IUPAC Name: 6,8-dibromo-3-(2-pyridin-1-ium-1-ylacetyl)chromen-2-one bromide Traditional Name: 6,8-dibromo-3-(2-pyridin-1-ium-1-ylacetyl)coumarin bromide Formula: C16H10Br3NO3 MolecularWeight: 503.9675

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H10Br2NO3.BrH/c17-11-6-10-7-12(16(21)22-15(10)13(18)8-11)14(20)9-19-4-2-1-3-5-19;/h1-8H,9H2;1H/q+1;/p-1