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

Systemtic Name: 4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]quinoline Openeye Name: 4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]quinoline CAS Name: 4-[[4-[3-(trifluoromethyl)phenyl]-1-piperazin-1-iumyl]methyl]quinoline IUPAC Name: 4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]quinoline Traditional Name: 4-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-ium-1-yl]methyl]quinoline Formula: C21H21F3N3+ MolecularWeight: 372.40675

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC3=CC=CC=C23)C4=CC=CC(=C4)C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC3=CC=CC=C23)C4=CC=CC(=C4)C(F)(F)F

InChI

InChI=1S/C21H20F3N3/c22-21(23,24)17-4-3-5-18(14-17)27-12-10-26(11-13-27)15-16-8-9-25-20-7-2-1-6-19(16)20/h1-9,14H,10-13,15H2/p+1