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

Systemtic Name: 2-[4-[2-(4-bromanyl-2-fluoranyl-phenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)ethanamide Openeye Name: 2-[4-[2-(4-bromo-2-fluoro-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide CAS Name: 2-[4-[2-(4-bromo-2-fluorophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(2-ethylphenyl)acetamide IUPAC Name: 2-[4-[2-(4-bromo-2-fluorophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Traditional Name: 2-[4-[2-(4-bromo-2-fluoro-phenoxy)acetyl]piperazin-1-ium-1-yl]-N-(2-ethylphenyl)acetamide Formula: C22H26BrFN3O3+ MolecularWeight: 479.362543

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

CCC1=CC=CC=C1NC(=O)C[NH+]2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C22H25BrFN3O3/c1-2-16-5-3-4-6-19(16)25-21(28)14-26-9-11-27(12-10-26)22(29)15-30-20-8-7-17(23)13-18(20)24/h3-8,13H,2,9-12,14-15H2,1H3,(H,25,28)/p+1