3-tert-butyl-5-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,4-oxadiazole

Systemtic Name: 3-tert-butyl-5-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,4-oxadiazole Openeye Name: 3-tert-butyl-5-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,4-oxadiazole IUPAC Name: 3-tert-butyl-5-[(4-methylsulfonyl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,4-oxadiazole Traditional Name: 3-tert-butyl-5-[(4-mesyl-1,4-diazepan-1-ium-1-yl)methyl]-1,2,4-oxadiazole Formula: C13H25N4O3S+ MolecularWeight: 317.4276

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NOC(=N1)C[NH+]2CCCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)C1=NOC(=N1)C[NH+]2CCCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C13H24N4O3S/c1-13(2,3)12-14-11(20-15-12)10-16-6-5-7-17(9-8-16)21(4,18)19/h5-10H2,1-4H3/p+1