quinolin-5-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: quinolin-5-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 5-quinolyl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: 5-quinolinyl-[4-[[4-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: quinolin-5-yl-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 5-quinolyl-[4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]methanone Formula: C22H21F3N3O+ MolecularWeight: 400.41685

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C(=O)C3=C4C=CC=NC4=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(C=C2)C(F)(F)F)C(=O)C3=C4C=CC=NC4=CC=C3

InChI

InChI=1S/C22H20F3N3O/c23-22(24,25)17-8-6-16(7-9-17)15-27-11-13-28(14-12-27)21(29)19-3-1-5-20-18(19)4-2-10-26-20/h1-10H,11-15H2/p+1