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

Systemtic Name: 6-methoxy-3-(2-pyridin-1-ium-1-ylethanoyl)chromen-2-one bromide Openeye Name: 6-methoxy-3-(2-pyridin-1-ium-1-ylacetyl)chromen-2-one bromide CAS Name: 6-methoxy-3-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]-1-benzopyran-2-one bromide IUPAC Name: 6-methoxy-3-(2-pyridin-1-ium-1-ylacetyl)chromen-2-one bromide Traditional Name: 6-methoxy-3-(2-pyridin-1-ium-1-ylacetyl)coumarin bromide Formula: C17H14BrNO4 MolecularWeight: 376.20136

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)C[N+]3=CC=CC=C3.[Br-]

Isomeric SMILES

COC1=CC2=C(C=C1)OC(=O)C(=C2)C(=O)C[N+]3=CC=CC=C3.[Br-]

InChI

InChI=1S/C17H14NO4.BrH/c1-21-13-5-6-16-12(9-13)10-14(17(20)22-16)15(19)11-18-7-3-2-4-8-18;/h2-10H,11H2,1H3;1H/q+1;/p-1