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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)C(C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC[NH+](CC2)[C@H](C)C#N

InChI

InChI=1S/C14H19N3O2S/c1-12-3-5-14(6-4-12)20(18,19)17-9-7-16(8-10-17)13(2)11-15/h3-6,13H,7-10H2,1-2H3/p+1/t13-/m1/s1