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

Systemtic Name: pyridin-3-yl-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Openeye Name: 3-pyridyl-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone CAS Name: 3-pyridinyl-[4-[[2-(trifluoromethyl)phenyl]methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: pyridin-3-yl-[4-[[2-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-1-yl]methanone Traditional Name: 3-pyridyl-[4-[2-(trifluoromethyl)benzyl]piperazin-4-ium-1-yl]methanone Formula: C18H19F3N3O+ MolecularWeight: 350.35817

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CC=C2C(F)(F)F)C(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CC=C2C(F)(F)F)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C18H18F3N3O/c19-18(20,21)16-6-2-1-4-15(16)13-23-8-10-24(11-9-23)17(25)14-5-3-7-22-12-14/h1-7,12H,8-11,13H2/p+1