1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethyloxy)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-(2-thienylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-(thiophen-2-ylmethyl)-4-[4-(trifluoromethoxy)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-(2-thenyl)-4-[4-(trifluoromethoxy)phenyl]sulfonyl-piperazin-1-ium Formula: C16H18F3N2O3S2+ MolecularWeight: 407.45093

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=CS2)S(=O)(=O)C3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C16H17F3N2O3S2/c17-16(18,19)24-13-3-5-15(6-4-13)26(22,23)21-9-7-20(8-10-21)12-14-2-1-11-25-14/h1-6,11H,7-10,12H2/p+1