N-(4-bromanyl-2-fluoranyl-phenyl)-2-piperazin-1-ium-1-yl-ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-piperazin-1-ium-1-yl-ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-piperazin-1-ium-1-yl-acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-(1-piperazin-1-iumyl)acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-piperazin-1-ium-1-ylacetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-piperazin-1-ium-1-yl-acetamide Formula: C12H16BrFN3O+ MolecularWeight: 317.177343

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CCN1)CC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

C1C[NH+](CCN1)CC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C12H15BrFN3O/c13-9-1-2-11(10(14)7-9)16-12(18)8-17-5-3-15-4-6-17/h1-2,7,15H,3-6,8H2,(H,16,18)/p+1