2-[4-(2-ethoxypyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-[4-(2-ethoxypyridin-3-yl)carbonylpiperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-[(2-ethoxy-3-pyridinyl)-oxomethyl]-1-piperazin-1-iumyl]-N-[2-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-[4-(2-ethoxypyridine-3-carbonyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[4-(2-ethoxynicotinoyl)piperazin-1-ium-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide Formula: C21H24F3N4O3+ MolecularWeight: 437.43547

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=N1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

CCOC1=C(C=CC=N1)C(=O)N2CC[NH+](CC2)CC(=O)NC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C21H23F3N4O3/c1-2-31-19-15(6-5-9-25-19)20(30)28-12-10-27(11-13-28)14-18(29)26-17-8-4-3-7-16(17)21(22,23)24/h3-9H,2,10-14H2,1H3,(H,26,29)/p+1