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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(F)(F)F)OC

InChI

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