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

Systemtic Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)ethanamide Openeye Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide CAS Name: N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]-2-[4-(2-pyridinyl)-1-piperazin-1-iumyl]acetamide IUPAC Name: N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]-2-(4-pyridin-2-ylpiperazin-1-ium-1-yl)acetamide Traditional Name: N-[2-morpholino-5-(trifluoromethyl)phenyl]-2-[4-(2-pyridyl)piperazin-1-ium-1-yl]acetamide Formula: C22H27F3N5O2+ MolecularWeight: 450.47729

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)C4=CC=CC=N4

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCOCC3)C4=CC=CC=N4

InChI

InChI=1S/C22H26F3N5O2/c23-22(24,25)17-4-5-19(29-11-13-32-14-12-29)18(15-17)27-21(31)16-28-7-9-30(10-8-28)20-3-1-2-6-26-20/h1-6,15H,7-14,16H2,(H,27,31)/p+1