2-[4-(pyridin-3-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-(pyridin-3-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(3-pyridylmethyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-(3-pyridinylmethyl)-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(pyridin-3-ylmethyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-(3-pyridylmethyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C19H22F3N4O2+ MolecularWeight: 395.39879

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CN=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)CC3=CN=CC=C3

InChI

InChI=1S/C19H21F3N4O2/c20-19(21,22)28-17-5-3-16(4-6-17)24-18(27)14-26-10-8-25(9-11-26)13-15-2-1-7-23-12-15/h1-7,12H,8-11,13-14H2,(H,24,27)/p+1