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

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[2,3,4-tris(fluoranyl)phenyl]ethanamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)acetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-(2,3,4-trifluorophenyl)acetamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)acetamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-(2,3,4-trifluorophenyl)acetamide Formula: C17H19F3N4O+2 MolecularWeight: 352.35417

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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=CC=CC=[NH+]3

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C(=C(C=C2)F)F)F)C3=CC=CC=[NH+]3

InChI

InChI=1S/C17H17F3N4O/c18-12-4-5-13(17(20)16(12)19)22-15(25)11-23-7-9-24(10-8-23)14-3-1-2-6-21-14/h1-6H,7-11H2,(H,22,25)/p+2