N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2-phenoxy-ethanamide

Systemtic Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2-phenoxy-ethanamide Openeye Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2-phenoxy-acetamide CAS Name: N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-2-phenoxyacetamide IUPAC Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2-phenoxyacetamide Traditional Name: N-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]-2-phenoxy-acetamide Formula: C25H27FN3O2+ MolecularWeight: 420.499183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)COC4=CC=CC=C4

InChI

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