3-(2-quinolin-1-ium-1-ylethanoyl)chromen-2-one bromide

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=[N+]2CC(=O)C3=CC4=CC=CC=C4OC3=O.[Br-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=[N+]2CC(=O)C3=CC4=CC=CC=C4OC3=O.[Br-]

InChI

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