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

Systemtic Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2-phenyl-ethanamide Openeye Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2-phenyl-acetamide CAS Name: N-[4-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]phenyl]-2-phenylacetamide IUPAC Name: N-[4-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]phenyl]-2-phenylacetamide Traditional Name: N-[4-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]phenyl]-2-phenyl-acetamide Formula: C25H27FN3O+ MolecularWeight: 404.499783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C3=CC=C(C=C3)NC(=O)CC4=CC=CC=C4

InChI

InChI=1S/C25H26FN3O/c26-24-9-5-4-8-21(24)19-28-14-16-29(17-15-28)23-12-10-22(11-13-23)27-25(30)18-20-6-2-1-3-7-20/h1-13H,14-19H2,(H,27,30)/p+1