N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C18H19ClF3N4O+ MolecularWeight: 399.81787

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18ClF3N4O/c19-14-5-4-13(18(20,21)22)11-15(14)24-17(27)12-25-7-9-26(10-8-25)16-3-1-2-6-23-16/h1-6,11H,7-10,12H2,(H,24,27)/p+1