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

Systemtic Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]-N-[3-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)-N-[3-(trifluoromethyl)phenyl]acetamide Formula: C18H21F3N4O+2 MolecularWeight: 366.38075

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19F3N4O/c19-18(20,21)14-4-3-5-15(12-14)23-17(26)13-24-8-10-25(11-9-24)16-6-1-2-7-22-16/h1-7,12H,8-11,13H2,(H,23,26)/p+2