1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-phenylphenoxy)ethanone

Systemtic Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-phenylphenoxy)ethanone Openeye Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-phenylphenoxy)ethanone CAS Name: 1-[4-[(2-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-(4-phenylphenoxy)ethanone IUPAC Name: 1-[4-[(2-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-phenylphenoxy)ethanone Traditional Name: 1-[4-(2-fluorobenzyl)piperazin-4-ium-1-yl]-2-(4-phenylphenoxy)ethanone Formula: C25H26FN2O2+ MolecularWeight: 405.484543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)COC3=CC=C(C=C3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2F)C(=O)COC3=CC=C(C=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H25FN2O2/c26-24-9-5-4-8-22(24)18-27-14-16-28(17-15-27)25(29)19-30-23-12-10-21(11-13-23)20-6-2-1-3-7-20/h1-13H,14-19H2/p+1