(2S)-2-methyl-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile

Systemtic Name: (2S)-2-methyl-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: (2S)-2-methyl-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: (2S)-2-methyl-3-[4-(2,4,6-trimethylphenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: (2S)-2-methyl-3-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: (2S)-3-(4-mesitylsulfonylpiperazin-1-ium-1-yl)-2-methyl-propionitrile Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-13-9-15(3)17(16(4)10-13)23(21,22)20-7-5-19(6-8-20)12-14(2)11-18/h9-10,14H,5-8,12H2,1-4H3/p+1/t14-/m1/s1