1-(3,4-dimethoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium

Systemtic Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Openeye Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium IUPAC Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-4-ium Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-[4-(trifluoromethyl)benzyl]piperazin-4-ium Formula: C20H24F3N2O4S+ MolecularWeight: 445.47577

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)CC3=CC=C(C=C3)C(F)(F)F)OC

InChI

InChI=1S/C20H23F3N2O4S/c1-28-18-8-7-17(13-19(18)29-2)30(26,27)25-11-9-24(10-12-25)14-15-3-5-16(6-4-15)20(21,22)23/h3-8,13H,9-12,14H2,1-2H3/p+1