5-tert-butyl-3-(5-butylsulfanyl-3-methyl-3-oxidanidyl-imidazolidin-3-ium-1-yl)-1,2-oxazole

Systemtic Name: 5-tert-butyl-3-(5-butylsulfanyl-3-methyl-3-oxidanidyl-imidazolidin-3-ium-1-yl)-1,2-oxazole Openeye Name: 5-tert-butyl-3-(5-butylsulfanyl-3-methyl-3-oxido-imidazolidin-3-ium-1-yl)isoxazole CAS Name: 5-tert-butyl-3-[5-(butylthio)-3-methyl-3-oxido-1-imidazolidin-3-iumyl]isoxazole IUPAC Name: 5-tert-butyl-3-(5-butylsulfanyl-3-methyl-3-oxidoimidazolidin-3-ium-1-yl)-1,2-oxazole Traditional Name: 5-tert-butyl-3-[5-(butylthio)-3-methyl-3-oxido-imidazolidin-3-ium-1-yl]isoxazole Formula: C15H27N3O2S MolecularWeight: 313.45878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1C[N+](CN1C2=NOC(=C2)C(C)(C)C)(C)[O-]

Isomeric SMILES

CCCCSC1C[N+](CN1C2=NOC(=C2)C(C)(C)C)(C)[O-]

InChI

InChI=1S/C15H27N3O2S/c1-6-7-8-21-14-10-18(5,19)11-17(14)13-9-12(20-16-13)15(2,3)4/h9,14H,6-8,10-11H2,1-5H3