2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-(2-cyanophenoxy)-N-[2-(4-methyl-1-piperazin-4-iumyl)-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(2-cyanophenoxy)-N-[2-(4-methylpiperazin-4-ium-1-yl)-5-(trifluoromethyl)phenyl]acetamide Formula: C21H22F3N4O2+ MolecularWeight: 419.42019

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC3=CC=CC=C3C#N

Isomeric SMILES

C[NH+]1CCN(CC1)C2=C(C=C(C=C2)C(F)(F)F)NC(=O)COC3=CC=CC=C3C#N

InChI

InChI=1S/C21H21F3N4O2/c1-27-8-10-28(11-9-27)18-7-6-16(21(22,23)24)12-17(18)26-20(29)14-30-19-5-3-2-4-15(19)13-25/h2-7,12H,8-11,14H2,1H3,(H,26,29)/p+1