2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide

Systemtic Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide Openeye Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)acetamide CAS Name: 2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]-N-(2,3,4-trifluorophenyl)acetamide IUPAC Name: 2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)acetamide Traditional Name: 2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]-N-(2,3,4-trifluorophenyl)acetamide Formula: C16H17F3N5O+ MolecularWeight: 352.33429

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C(=C(C=C2)F)F)F)C3=NC=CC=N3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C(=C(C=C2)F)F)F)C3=NC=CC=N3

InChI

InChI=1S/C16H16F3N5O/c17-11-2-3-12(15(19)14(11)18)22-13(25)10-23-6-8-24(9-7-23)16-20-4-1-5-21-16/h1-5H,6-10H2,(H,22,25)/p+1