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

Systemtic Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)ethanamide Openeye Name: N-(4-benzyloxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide CAS Name: 2-[4-(4-fluorophenyl)-1-piperazin-1-iumyl]-N-(4-phenylmethoxyphenyl)acetamide IUPAC Name: 2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-N-(4-phenylmethoxyphenyl)acetamide Traditional Name: N-(4-benzoxyphenyl)-2-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]acetamide Formula: C25H27FN3O2+ MolecularWeight: 420.499183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OCC3=CC=CC=C3)C4=CC=C(C=C4)F

InChI

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