(2S)-2-methyl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: (2S)-2-methyl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: (2S)-2-methyl-3-[4-(p-tolylsulfonyl)piperazin-1-ium-1-yl]propanenitrile CAS Name: (2S)-2-methyl-3-[4-(4-methylphenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: (2S)-2-methyl-3-[4-(4-methylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: (2S)-2-methyl-3-(4-tosylpiperazin-1-ium-1-yl)propionitrile Formula: C15H22N3O2S+ MolecularWeight: 308.41908

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S/c1-13-3-5-15(6-4-13)21(19,20)18-9-7-17(8-10-18)12-14(2)11-16/h3-6,14H,7-10,12H2,1-2H3/p+1/t14-/m1/s1