1-(2,5-dimethylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-(2,5-dimethylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(2,5-dimethylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(2,5-dimethylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,5-dimethylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(2,5-dimethylphenyl)-4-[4-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C20H24F3N2+ MolecularWeight: 349.41317

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

CC1=CC(=C(C=C1)C)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H23F3N2/c1-15-3-4-16(2)19(13-15)25-11-9-24(10-12-25)14-17-5-7-18(8-6-17)20(21,22)23/h3-8,13H,9-12,14H2,1-2H3/p+1