1-(2,3-dimethylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-(2,3-dimethylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(2,3-dimethylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(2,3-dimethylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(2,3-dimethylphenyl)-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(2,3-dimethylphenyl)-4-[4-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C20H24F3N2+ MolecularWeight: 349.41317

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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