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

Systemtic Name: 2-[4-[2-(2-cyanophenoxy)ethanoyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)ethanamide Openeye Name: 2-[4-[2-(2-cyanophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide CAS Name: 2-[4-[2-(2-cyanophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-N-(4-fluorophenyl)acetamide IUPAC Name: 2-[4-[2-(2-cyanophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Traditional Name: 2-[4-[2-(2-cyanophenoxy)acetyl]piperazin-1-ium-1-yl]-N-(4-fluorophenyl)acetamide Formula: C21H22FN4O3+ MolecularWeight: 397.422783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)F)C(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C21H21FN4O3/c22-17-5-7-18(8-6-17)24-20(27)14-25-9-11-26(12-10-25)21(28)15-29-19-4-2-1-3-16(19)13-23/h1-8H,9-12,14-15H2,(H,24,27)/p+1