2-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylphenoxy]ethanamide

Systemtic Name: 2-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylphenoxy]ethanamide Openeye Name: 2-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenoxy]acetamide CAS Name: 2-[4-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]phenoxy]acetamide IUPAC Name: 2-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenoxy]acetamide Traditional Name: 2-[4-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]phenoxy]acetamide Formula: C19H20F3N4O3+ MolecularWeight: 409.38231

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)OCC(=O)N

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC=C(C=C3)OCC(=O)N

InChI

InChI=1S/C19H19F3N4O3/c20-19(21,22)14-3-6-17(24-11-14)25-7-9-26(10-8-25)18(28)13-1-4-15(5-2-13)29-12-16(23)27/h1-6,11H,7-10,12H2,(H2,23,27)/p+1