(2S)-2-[4-[2-(4-fluoranylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-2-phenyl-ethanenitrile

Systemtic Name: (2S)-2-[4-[2-(4-fluoranylphenoxy)ethanoyl]piperazin-1-ium-1-yl]-2-phenyl-ethanenitrile Openeye Name: (2S)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-ium-1-yl]-2-phenyl-acetonitrile CAS Name: (2S)-2-[4-[2-(4-fluorophenoxy)-1-oxoethyl]-1-piperazin-1-iumyl]-2-phenylacetonitrile IUPAC Name: (2S)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-ium-1-yl]-2-phenylacetonitrile Traditional Name: (2S)-2-[4-[2-(4-fluorophenoxy)acetyl]piperazin-1-ium-1-yl]-2-phenyl-acetonitrile Formula: C20H21FN3O2+ MolecularWeight: 354.398043

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1C(C#N)C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)F

Isomeric SMILES

C1CN(CC[NH+]1[C@H](C#N)C2=CC=CC=C2)C(=O)COC3=CC=C(C=C3)F

InChI

InChI=1S/C20H20FN3O2/c21-17-6-8-18(9-7-17)26-15-20(25)24-12-10-23(11-13-24)19(14-22)16-4-2-1-3-5-16/h1-9,19H,10-13,15H2/p+1/t19-/m1/s1