3-[[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazolidine-2-thione

Systemtic Name: 3-[[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazolidine-2-thione Openeye Name: 3-[[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]oxazolidine-2-thione CAS Name: 3-[[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-2-oxazolidinethione IUPAC Name: 3-[[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-1,3-oxazolidine-2-thione Traditional Name: 3-[[4-(4-tert-butyl-2,6-dimethyl-phenyl)sulfonylpiperazin-1-ium-1-yl]methyl]oxazolidine-2-thione Formula: C20H32N3O3S2+ MolecularWeight: 426.61638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH+](CC2)CN3CCOC3=S)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1S(=O)(=O)N2CC[NH+](CC2)CN3CCOC3=S)C)C(C)(C)C

InChI

InChI=1S/C20H31N3O3S2/c1-15-12-17(20(3,4)5)13-16(2)18(15)28(24,25)23-8-6-21(7-9-23)14-22-10-11-26-19(22)27/h12-13H,6-11,14H2,1-5H3/p+1