1-(pyridin-4-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium

Systemtic Name: 1-(pyridin-4-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Openeye Name: 1-(4-pyridylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium CAS Name: 1-(pyridin-4-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium IUPAC Name: 1-(pyridin-4-ylmethyl)-4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-1-ium Traditional Name: 1-(4-pyridylmethyl)-4-[2-(trifluoromethyl)benzyl]piperazin-1-ium Formula: C18H21F3N3+ MolecularWeight: 336.37465

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=NC=C2)CC3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=NC=C2)CC3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H20F3N3/c19-18(20,21)17-4-2-1-3-16(17)14-24-11-9-23(10-12-24)13-15-5-7-22-8-6-15/h1-8H,9-14H2/p+1