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

Systemtic Name: 1-[4-[(3-fluoranyl-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(2-phenylphenoxy)ethanone Openeye Name: 1-[4-[(3-fluoro-4-methoxy-phenyl)methyl]piperazin-4-ium-1-yl]-2-(2-phenylphenoxy)ethanone CAS Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]-1-piperazin-4-iumyl]-2-(2-phenylphenoxy)ethanone IUPAC Name: 1-[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-4-ium-1-yl]-2-(2-phenylphenoxy)ethanone Traditional Name: 1-[4-(3-fluoro-4-methoxy-benzyl)piperazin-4-ium-1-yl]-2-(2-phenylphenoxy)ethanone Formula: C26H28FN2O3+ MolecularWeight: 435.510523

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C4=CC=CC=C4)F

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)C(=O)COC3=CC=CC=C3C4=CC=CC=C4)F

InChI

InChI=1S/C26H27FN2O3/c1-31-25-12-11-20(17-23(25)27)18-28-13-15-29(16-14-28)26(30)19-32-24-10-6-5-9-22(24)21-7-3-2-4-8-21/h2-12,17H,13-16,18-19H2,1H3/p+1