2-(2-fluoranylphenoxy)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide

Systemtic Name: 2-(2-fluoranylphenoxy)-N-[4-[4-(phenylmethyl)piperazin-4-ium-1-yl]phenyl]ethanamide Openeye Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(2-fluorophenoxy)acetamide CAS Name: 2-(2-fluorophenoxy)-N-[4-[4-(phenylmethyl)-1-piperazin-4-iumyl]phenyl]acetamide IUPAC Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(2-fluorophenoxy)acetamide Traditional Name: N-[4-(4-benzylpiperazin-4-ium-1-yl)phenyl]-2-(2-fluorophenoxy)acetamide Formula: C25H27FN3O2+ MolecularWeight: 420.499183

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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=CC=CC=C4F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4F

InChI

InChI=1S/C25H26FN3O2/c26-23-8-4-5-9-24(23)31-19-25(30)27-21-10-12-22(13-11-21)29-16-14-28(15-17-29)18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,27,30)/p+1