2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]-N-quinolin-5-yl-ethanamide

Systemtic Name: 2-[4-[3-chloranyl-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]-N-quinolin-5-yl-ethanamide Openeye Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]-N-(5-quinolyl)acetamide CAS Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-piperazin-1-iumyl]-N-(5-quinolinyl)acetamide IUPAC Name: 2-[4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]piperazin-1-ium-1-yl]-N-quinolin-5-ylacetamide Traditional Name: 2-[4-[3-chloro-5-(trifluoromethyl)-2-pyridyl]piperazin-1-ium-1-yl]-N-(5-quinolyl)acetamide Formula: C21H20ClF3N5O+ MolecularWeight: 450.86461

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=C2C=CC=N3)C4=C(C=C(C=N4)C(F)(F)F)Cl

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=CC3=C2C=CC=N3)C4=C(C=C(C=N4)C(F)(F)F)Cl

InChI

InChI=1S/C21H19ClF3N5O/c22-16-11-14(21(23,24)25)12-27-20(16)30-9-7-29(8-10-30)13-19(31)28-18-5-1-4-17-15(18)3-2-6-26-17/h1-6,11-12H,7-10,13H2,(H,28,31)/p+1