8-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-1-yl]methyl]quinoline

Systemtic Name: 8-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-1-yl]methyl]quinoline Openeye Name: 8-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-1-yl]methyl]quinoline CAS Name: 8-[[4-[[3-(trifluoromethyl)phenyl]methyl]-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 8-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-ium-1-yl]methyl]quinoline Traditional Name: 8-[[4-[3-(trifluoromethyl)benzyl]piperazin-1-ium-1-yl]methyl]quinoline Formula: C22H23F3N3+ MolecularWeight: 386.43333

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)CC4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC3=C2N=CC=C3)CC4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C22H22F3N3/c23-22(24,25)20-8-1-4-17(14-20)15-27-10-12-28(13-11-27)16-19-6-2-5-18-7-3-9-26-21(18)19/h1-9,14H,10-13,15-16H2/p+1