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1-[(3-methoxyphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium
1-[(3-methoxyphenyl)methyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium
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Descriptors Computed from Structure
Canonical SMILES:
COC1=CC=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F
Isomeric SMILES
COC1=CC=CC(=C1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F
InChI
InChI=1S/C19H21F3N2O3S/c1-27-16-6-4-5-15(13-16)14-23-9-11-24(12-10-23)28(25,26)18-8-3-2-7-17(18)19(20,21)22/h2-8,13H,9-12,14H2,1H3/p+1
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