2-[4-[3-(2-cyanophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide

Systemtic Name: 2-[4-[3-(2-cyanophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[3-(2-cyanophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[3-(2-cyanophenyl)-1-oxopropyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[3-(2-cyanophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[3-(2-cyanophenyl)propanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C22H24FN4O2+ MolecularWeight: 395.449963

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CCC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)CCC3=CC=CC=C3C#N

InChI

InChI=1S/C22H23FN4O2/c23-19-6-8-20(9-7-19)25-21(28)16-26-11-13-27(14-12-26)22(29)10-5-17-3-1-2-4-18(17)15-24/h1-4,6-9H,5,10-14,16H2,(H,25,28)/p+1