6-bromanyl-3-(2-isoquinolin-2-ium-2-ylethanoyl)chromen-2-one

Systemtic Name: 6-bromanyl-3-(2-isoquinolin-2-ium-2-ylethanoyl)chromen-2-one Openeye Name: 6-bromo-3-(2-isoquinolin-2-ium-2-ylacetyl)chromen-2-one CAS Name: 6-bromo-3-[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]-1-benzopyran-2-one IUPAC Name: 6-bromo-3-(2-isoquinolin-2-ium-2-ylacetyl)chromen-2-one Traditional Name: 6-bromo-3-(2-isoquinolin-2-ium-2-ylacetyl)coumarin Formula: C20H13BrNO3+ MolecularWeight: 395.22612

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC4=C(C=CC(=C4)Br)OC3=O

InChI

InChI=1S/C20H13BrNO3/c21-16-5-6-19-15(9-16)10-17(20(24)25-19)18(23)12-22-8-7-13-3-1-2-4-14(13)11-22/h1-11H,12H2/q+1