2-[1-[2-(5-cyano-2-phenylmethoxy-phenoxy)-3,5,6-tris(fluoranyl)pyridin-4-yl]piperazin-1-ium-1-yl]ethanoic acid

Systemtic Name: 2-[1-[2-(5-cyano-2-phenylmethoxy-phenoxy)-3,5,6-tris(fluoranyl)pyridin-4-yl]piperazin-1-ium-1-yl]ethanoic acid Openeye Name: 2-[1-[2-(2-benzyloxy-5-cyano-phenoxy)-3,5,6-trifluoro-4-pyridyl]piperazin-1-ium-1-yl]acetic acid CAS Name: 2-[1-[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5,6-trifluoro-4-pyridinyl]-1-piperazin-1-iumyl]acetic acid IUPAC Name: 2-[1-[2-(5-cyano-2-phenylmethoxyphenoxy)-3,5,6-trifluoropyridin-4-yl]piperazin-1-ium-1-yl]acetic acid Traditional Name: 2-[1-[2-(2-benzoxy-5-cyano-phenoxy)-3,5,6-trifluoro-4-pyridyl]piperazin-1-ium-1-yl]acetic acid Formula: C25H22F3N4O4+ MolecularWeight: 499.46179

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Descriptors Computed from Structure

Canonical SMILES:

C1C[N+](CCN1)(CC(=O)O)C2=C(C(=NC(=C2F)F)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4)F

Isomeric SMILES

C1C[N+](CCN1)(CC(=O)O)C2=C(C(=NC(=C2F)F)OC3=C(C=CC(=C3)C#N)OCC4=CC=CC=C4)F

InChI

InChI=1S/C25H21F3N4O4/c26-21-23(32(14-20(33)34)10-8-30-9-11-32)22(27)25(31-24(21)28)36-19-12-17(13-29)6-7-18(19)35-15-16-4-2-1-3-5-16/h1-7,12,30H,8-11,14-15H2/p+1