(2R)-2-methyl-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: (2R)-2-methyl-3-[4-(phenylsulfonyl)piperazin-1-ium-1-yl]propanenitrile Openeye Name: (2R)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-2-methyl-propanenitrile CAS Name: (2R)-3-[4-(benzenesulfonyl)-1-piperazin-1-iumyl]-2-methylpropanenitrile IUPAC Name: (2R)-3-[4-(benzenesulfonyl)piperazin-1-ium-1-yl]-2-methylpropanenitrile Traditional Name: (2R)-3-(4-besylpiperazin-1-ium-1-yl)-2-methyl-propionitrile Formula: C14H20N3O2S+ MolecularWeight: 294.3925

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3O2S/c1-13(11-15)12-16-7-9-17(10-8-16)20(18,19)14-5-3-2-4-6-14/h2-6,13H,7-10,12H2,1H3/p+1/t13-/m0/s1