2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C18H21F3N4O2+2 MolecularWeight: 382.38015

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3N4O2/c19-18(20,21)27-15-6-4-14(5-7-15)23-17(26)13-24-9-11-25(12-10-24)16-3-1-2-8-22-16/h1-8H,9-13H2,(H,23,26)/p+2