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

Systemtic Name: quinolin-2-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 2-quinolyl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: 2-quinolinyl-[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: quinolin-2-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 2-quinolyl-[4-[3-(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(=CC=C2)C(F)(F)F)C(=O)C3=NC4=CC=CC=C4C=C3

Isomeric SMILES

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

InChI

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