1-(2-pyridin-2-ylethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium

Systemtic Name: 1-(2-pyridin-2-ylethyl)-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Openeye Name: 1-[2-(2-pyridyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium CAS Name: 1-[2-(2-pyridinyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium IUPAC Name: 1-(2-pyridin-2-ylethyl)-4-[2-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium Traditional Name: 1-[2-(2-pyridyl)ethyl]-4-[2-(trifluoromethyl)phenyl]sulfonyl-piperazin-1-ium Formula: C18H21F3N3O2S+ MolecularWeight: 400.43845

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

Isomeric SMILES

C1CN(CC[NH+]1CCC2=CC=CC=N2)S(=O)(=O)C3=CC=CC=C3C(F)(F)F

InChI

InChI=1S/C18H20F3N3O2S/c19-18(20,21)16-6-1-2-7-17(16)27(25,26)24-13-11-23(12-14-24)10-8-15-5-3-4-9-22-15/h1-7,9H,8,10-14H2/p+1