1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone

Systemtic Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Openeye Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone CAS Name: 1-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]-2-(4-methylphenoxy)ethanone IUPAC Name: 1-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Traditional Name: 1-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]-2-(4-methylphenoxy)ethanone Formula: C20H24FN2O2+ MolecularWeight: 343.415163

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)OCC(=O)N2CC[NH+](CC2)CC3=CC(=CC=C3)F

InChI

InChI=1S/C20H23FN2O2/c1-16-5-7-19(8-6-16)25-15-20(24)23-11-9-22(10-12-23)14-17-3-2-4-18(21)13-17/h2-8,13H,9-12,14-15H2,1H3/p+1