2-(3-fluoranyl-4-methoxy-phenyl)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]ethanone

Systemtic Name: 2-(3-fluoranyl-4-methoxy-phenyl)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]ethanone Openeye Name: 2-(3-fluoro-4-methoxy-phenyl)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]ethanone CAS Name: 2-(3-fluoro-4-methoxyphenyl)-1-[4-[2-(4-methoxyphenoxy)ethyl]-1-piperazin-4-iumyl]ethanone IUPAC Name: 2-(3-fluoro-4-methoxyphenyl)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]ethanone Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-4-ium-1-yl]ethanone Formula: C22H28FN2O4+ MolecularWeight: 403.467123

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)CC3=CC(=C(C=C3)OC)F

Isomeric SMILES

COC1=CC=C(C=C1)OCC[NH+]2CCN(CC2)C(=O)CC3=CC(=C(C=C3)OC)F

InChI

InChI=1S/C22H27FN2O4/c1-27-18-4-6-19(7-5-18)29-14-13-24-9-11-25(12-10-24)22(26)16-17-3-8-21(28-2)20(23)15-17/h3-8,15H,9-14,16H2,1-2H3/p+1