2-isoquinolin-2-ium-2-yl-N-phenyl-ethanamide bromide

Systemtic Name: 2-isoquinolin-2-ium-2-yl-N-phenyl-ethanamide bromide Openeye Name: 2-isoquinolin-2-ium-2-yl-N-phenyl-acetamide bromide CAS Name: 2-(2-isoquinolin-2-iumyl)-N-phenylacetamide bromide IUPAC Name: 2-isoquinolin-2-ium-2-yl-N-phenylacetamide bromide Traditional Name: 2-isoquinolin-2-ium-2-yl-N-phenyl-acetamide bromide Formula: C17H15BrN2O MolecularWeight: 343.2178

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Br-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)C[N+]2=CC3=CC=CC=C3C=C2.[Br-]

InChI

InChI=1S/C17H14N2O.BrH/c20-17(18-16-8-2-1-3-9-16)13-19-11-10-14-6-4-5-7-15(14)12-19;/h1-12H,13H2;1H