3-(2-pyridin-1-ium-1-ylethanoyl)chromen-2-one bromide

Systemtic Name: 3-(2-pyridin-1-ium-1-ylethanoyl)chromen-2-one bromide Openeye Name: 3-(2-pyridin-1-ium-1-ylacetyl)chromen-2-one bromide CAS Name: 3-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-1-benzopyran-2-one bromide IUPAC Name: 3-(2-pyridin-1-ium-1-ylacetyl)chromen-2-one bromide Traditional Name: 3-(2-pyridin-1-ium-1-ylacetyl)coumarin bromide Formula: C16H12BrNO3 MolecularWeight: 346.17538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H12NO3.BrH/c18-14(11-17-8-4-1-5-9-17)13-10-12-6-2-3-7-15(12)20-16(13)19;/h1-10H,11H2;1H/q+1;/p-1