4-[[4-[2-(4-fluoranylphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[2-(4-fluoranylphenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[2-(4-fluorophenoxy)ethyl]-1-piperazine-1,4-diiumyl]methyl]benzonitrile IUPAC Name: 4-[[4-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[2-(4-fluorophenoxy)ethyl]piperazine-1,4-diium-1-yl]methyl]benzonitrile Formula: C20H24FN3O+2 MolecularWeight: 341.422463

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCOC2=CC=C(C=C2)F)CC3=CC=C(C=C3)C#N

Isomeric SMILES

C1C[NH+](CC[NH+]1CCOC2=CC=C(C=C2)F)CC3=CC=C(C=C3)C#N

InChI

InChI=1S/C20H22FN3O/c21-19-5-7-20(8-6-19)25-14-13-23-9-11-24(12-10-23)16-18-3-1-17(15-22)2-4-18/h1-8H,9-14,16H2/p+2