quinoxalin-2-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: quinoxalin-2-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: quinoxalin-2-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2-quinoxalinyl-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: quinoxalin-2-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: quinoxalin-2-yl-[4-[3-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]methanone Formula: C21H20F3N4O+ MolecularWeight: 401.40491

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=NC4=CC=CC=C4N=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)C(F)(F)F)C(=O)C3=NC4=CC=CC=C4N=C3

InChI

InChI=1S/C21H19F3N4O/c22-21(23,24)16-5-3-4-15(12-16)14-27-8-10-28(11-9-27)20(29)19-13-25-17-6-1-2-7-18(17)26-19/h1-7,12-13H,8-11,14H2/p+1