(2R)-2-methyl-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: (2R)-2-methyl-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: (2R)-2-methyl-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: (2R)-2-methyl-3-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: (2R)-2-methyl-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: (2R)-2-methyl-3-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C15H19F3N3O2S+ MolecularWeight: 362.39047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C#N

Isomeric SMILES

C[C@H](C[NH+]1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(F)(F)F)C#N

InChI

InChI=1S/C15H18F3N3O2S/c1-12(10-19)11-20-5-7-21(8-6-20)24(22,23)14-4-2-3-13(9-14)15(16,17)18/h2-4,9,12H,5-8,11H2,1H3/p+1/t12-/m0/s1