2-[4-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-[2-(4-bromo-2-fluoro-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide CAS Name: 2-[4-[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-phenylacetamide IUPAC Name: 2-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]piperazin-1-ium-1-yl]-N-phenylacetamide Traditional Name: 2-[4-[2-(4-bromo-2-fluoro-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-phenyl-acetamide Formula: C20H22BrFN3O3+ MolecularWeight: 451.309383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC=C2)C(=O)COC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C20H21BrFN3O3/c21-15-6-7-18(17(22)12-15)28-14-20(27)25-10-8-24(9-11-25)13-19(26)23-16-4-2-1-3-5-16/h1-7,12H,8-11,13-14H2,(H,23,26)/p+1