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

Systemtic Name: N-[2-chloranyl-5-(trifluoromethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide CAS Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[4-(2-pyrimidyl)piperazin-1-ium-1-yl]acetamide Formula: C17H18ClF3N5O+ MolecularWeight: 400.80593

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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=NC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C17H17ClF3N5O/c18-13-3-2-12(17(19,20)21)10-14(13)24-15(27)11-25-6-8-26(9-7-25)16-22-4-1-5-23-16/h1-5,10H,6-9,11H2,(H,24,27)/p+1