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

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-phenoxy)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-bromo-2-fluoro-phenoxy)acetamide CAS Name: 2-(4-bromo-2-fluorophenoxy)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-bromo-2-fluorophenoxy)acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(4-bromo-2-fluoro-phenoxy)acetamide Formula: C25H26BrFN3O2+ MolecularWeight: 499.395243

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC4=C(C=C(C=C4)Br)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC4=C(C=C(C=C4)Br)F

InChI

InChI=1S/C25H25BrFN3O2/c26-20-6-11-24(23(27)16-20)32-18-25(31)28-21-7-9-22(10-8-21)30-14-12-29(13-15-30)17-19-4-2-1-3-5-19/h1-11,16H,12-15,17-18H2,(H,28,31)/p+1