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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C

Isomeric SMILES

CC1=CC(=C(C=C1)C[NH+]2CCN(CC2)C3=CC=CC(=C3)C(F)(F)F)C

InChI

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