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

Systemtic Name: (2R)-2-[4-(phenylmethyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)propanenitrile CAS Name: (2R)-2-[4-(phenylmethyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)propanenitrile Traditional Name: (2R)-2-(4-benzylsulfonylpiperazin-1-ium-1-yl)propionitrile Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C[C@H](C#N)[NH+]1CCN(CC1)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C14H19N3O2S/c1-13(11-15)16-7-9-17(10-8-16)20(18,19)12-14-5-3-2-4-6-14/h2-6,13H,7-10,12H2,1H3/p+1/t13-/m1/s1