6-bromanyl-3-(2-pyridin-1-ium-1-ylethanoyl)chromen-2-one

Systemtic Name: 6-bromanyl-3-(2-pyridin-1-ium-1-ylethanoyl)chromen-2-one Openeye Name: 6-bromo-3-(2-pyridin-1-ium-1-ylacetyl)chromen-2-one CAS Name: 6-bromo-3-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-(2-pyridin-1-ium-1-ylacetyl)chromen-2-one Traditional Name: 6-bromo-3-(2-pyridin-1-ium-1-ylacetyl)coumarin Formula: C16H11BrNO3+ MolecularWeight: 345.16744

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

Isomeric SMILES

C1=CC=[N+](C=C1)CC(=O)C2=CC3=C(C=CC(=C3)Br)OC2=O

InChI

InChI=1S/C16H11BrNO3/c17-12-4-5-15-11(8-12)9-13(16(20)21-15)14(19)10-18-6-2-1-3-7-18/h1-9H,10H2/q+1