3-(2-isoquinolin-2-ium-2-ylethanoyl)chromen-2-one bromide

Systemtic Name: 3-(2-isoquinolin-2-ium-2-ylethanoyl)chromen-2-one bromide Openeye Name: 3-(2-isoquinolin-2-ium-2-ylacetyl)chromen-2-one bromide CAS Name: 3-[2-(2-isoquinolin-2-iumyl)-1-oxoethyl]-1-benzopyran-2-one bromide IUPAC Name: 3-(2-isoquinolin-2-ium-2-ylacetyl)chromen-2-one bromide Traditional Name: 3-(2-isoquinolin-2-ium-2-ylacetyl)coumarin bromide Formula: C20H14BrNO3 MolecularWeight: 396.23406

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C20H14NO3.BrH/c22-18(13-21-10-9-14-5-1-2-7-16(14)12-21)17-11-15-6-3-4-8-19(15)24-20(17)23;/h1-12H,13H2;1H/q+1;/p-1