2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide

Systemtic Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethyloxy)phenyl]ethanamide Openeye Name: 2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide CAS Name: 2-[4-(8-nitro-5-isoquinolinyl)-1-piperazin-1-iumyl]-N-[4-(trifluoromethoxy)phenyl]acetamide IUPAC Name: 2-[4-(8-nitroisoquinolin-5-yl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Traditional Name: 2-[4-(8-nitro-5-isoquinolyl)piperazin-1-ium-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide Formula: C22H21F3N5O4+ MolecularWeight: 476.42845

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CC[NH+]1CC(=O)NC2=CC=C(C=C2)OC(F)(F)F)C3=C4C=CN=CC4=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H20F3N5O4/c23-22(24,25)34-16-3-1-15(2-4-16)27-21(31)14-28-9-11-29(12-10-28)19-5-6-20(30(32)33)18-13-26-8-7-17(18)19/h1-8,13H,9-12,14H2,(H,27,31)/p+1