1-[(3,5-dimethylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-[(3,5-dimethylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[(3,5-dimethylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[(3,5-dimethylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-[(3,5-dimethylphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(3,5-dimethylbenzyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C20H24F3N2O2S+ MolecularWeight: 413.47697

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)C

Isomeric SMILES

CC1=CC(=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F)C

InChI

InChI=1S/C20H23F3N2O2S/c1-15-11-16(2)13-17(12-15)14-24-7-9-25(10-8-24)28(26,27)19-6-4-3-5-18(19)20(21,22)23/h3-6,11-13H,7-10,14H2,1-2H3/p+1