4-[[4-[4-(4-fluoranylphenoxy)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[4-(4-fluoranylphenoxy)phenyl]carbonylpiperazin-1-ium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[[4-(4-fluorophenoxy)phenyl]-oxomethyl]-1-piperazin-1-iumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[4-(4-fluorophenoxy)benzoyl]piperazin-1-ium-1-yl]methyl]benzonitrile Formula: C25H23FN3O2+ MolecularWeight: 416.467423

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C#N)C(=O)C3=CC=C(C=C3)OC4=CC=C(C=C4)F

InChI

InChI=1S/C25H22FN3O2/c26-22-7-11-24(12-8-22)31-23-9-5-21(6-10-23)25(30)29-15-13-28(14-16-29)18-20-3-1-19(17-27)2-4-20/h1-12H,13-16,18H2/p+1