2-fluoranyl-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]benzenecarbonitrile Openeye Name: 2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]benzonitrile CAS Name: 2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]benzonitrile IUPAC Name: 2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]benzonitrile Traditional Name: 2-fluoro-6-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]benzonitrile Formula: C20H23FN3O2+ MolecularWeight: 356.413923

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C20H22FN3O2/c1-25-16-5-7-17(8-6-16)26-14-13-23-9-11-24(12-10-23)20-4-2-3-19(21)18(20)15-22/h2-8H,9-14H2,1H3/p+1