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

Systemtic Name: (2R)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: (2R)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: (2R)-2-[4-[3-(trifluoromethyl)phenyl]sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: (2R)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: (2R)-2-[4-[3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C14H17F3N3O2S+ MolecularWeight: 348.36389

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16F3N3O2S/c1-11(10-18)19-5-7-20(8-6-19)23(21,22)13-4-2-3-12(9-13)14(15,16)17/h2-4,9,11H,5-8H2,1H3/p+1/t11-/m1/s1