4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-2-one

Systemtic Name: 4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-2-one Openeye Name: 4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-2-one CAS Name: 4-[[4-(trifluoromethyl)phenyl]methyl]-2-piperazin-4-iumone IUPAC Name: 4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium-2-one Traditional Name: 4-[4-(trifluoromethyl)benzyl]piperazin-4-ium-2-one Formula: C12H14F3N2O+ MolecularWeight: 259.24757

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC(=O)N1)CC2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

C1C[NH+](CC(=O)N1)CC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H13F3N2O/c13-12(14,15)10-3-1-9(2-4-10)7-17-6-5-16-11(18)8-17/h1-4H,5-8H2,(H,16,18)/p+1