(2R)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: (2R)-2-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: (2R)-2-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]propanenitrile IUPAC Name: (2R)-2-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]propanenitrile Traditional Name: (2R)-2-(4-besylpiperazin-1-ium-1-yl)propionitrile Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O2S/c1-12(11-14)15-7-9-16(10-8-15)19(17,18)13-5-3-2-4-6-13/h2-6,12H,7-10H2,1H3/p+1/t12-/m1/s1