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

Systemtic Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Openeye Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile CAS Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonyl-1-piperazin-1-iumyl]propanenitrile IUPAC Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]propanenitrile Traditional Name: (2R)-2-[4-(4-tert-butylphenyl)sulfonylpiperazin-1-ium-1-yl]propionitrile Formula: C17H26N3O2S+ MolecularWeight: 336.47224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H25N3O2S/c1-14(13-18)19-9-11-20(12-10-19)23(21,22)16-7-5-15(6-8-16)17(2,3)4/h5-8,14H,9-12H2,1-4H3/p+1/t14-/m1/s1