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

Systemtic Name: 6,8-bis(bromanyl)-3-(2-isoquinolin-2-ium-2-ylethanoyl)chromen-2-one bromide Openeye Name: 6,8-dibromo-3-(2-isoquinolin-2-ium-2-ylacetyl)chromen-2-one bromide CAS Name: 6,8-dibromo-3-[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]-1-benzopyran-2-one bromide IUPAC Name: 6,8-dibromo-3-(2-isoquinolin-2-ium-2-ylacetyl)chromen-2-one bromide Traditional Name: 6,8-dibromo-3-(2-isoquinolin-2-ium-2-ylacetyl)coumarin bromide Formula: C20H12Br3NO3 MolecularWeight: 554.02618

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC4=CC(=CC(=C4OC3=O)Br)Br.[Br-]

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)C3=CC4=CC(=CC(=C4OC3=O)Br)Br.[Br-]

InChI

InChI=1S/C20H12Br2NO3.BrH/c21-15-7-14-8-16(20(25)26-19(14)17(22)9-15)18(24)11-23-6-5-12-3-1-2-4-13(12)10-23;/h1-10H,11H2;1H/q+1;/p-1