(2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: (2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: (2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: (2R)-2-[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: (2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: (2R)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C13H17FN3O2S+ MolecularWeight: 298.356383

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FN3O2S/c1-11(10-15)16-6-8-17(9-7-16)20(18,19)13-4-2-12(14)3-5-13/h2-5,11H,6-9H2,1H3/p+1/t11-/m1/s1