N-(4-bromanyl-2-fluoranyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-isoquinolin-2-ium-2-yl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-(2-isoquinolin-2-iumyl)acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-isoquinolin-2-ium-2-ylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-isoquinolin-2-ium-2-yl-acetamide Formula: C17H13BrFN2O+ MolecularWeight: 360.200323

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1=CC=C2C=[N+](C=CC2=C1)CC(=O)NC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C17H12BrFN2O/c18-14-5-6-16(15(19)9-14)20-17(22)11-21-8-7-12-3-1-2-4-13(12)10-21/h1-10H,11H2/p+1