2-[4-[2-(4-bromanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[2-(4-bromanylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)ethanamide Openeye Name: 2-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide CAS Name: 2-[4-[2-(4-bromophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(3-fluorophenyl)acetamide IUPAC Name: 2-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)acetamide Traditional Name: 2-[4-[2-(4-bromophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(3-fluorophenyl)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)F)C(=O)COC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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