4-(3-methyl-2-oxidanyl-butan-2-yl)-3-phenyl-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 4-(3-methyl-2-oxidanyl-butan-2-yl)-3-phenyl-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 4-(1-hydroxy-1,2-dimethyl-propyl)-3-phenyl-2H-oxadiazol-3-ium-5-one CAS Name: 4-(2-hydroxy-3-methylbutan-2-yl)-3-phenyl-2H-oxadiazol-3-ium-5-one IUPAC Name: 4-(2-hydroxy-3-methylbutan-2-yl)-3-phenyl-2H-oxadiazol-3-ium-5-one Traditional Name: 4-(1-hydroxy-1,2-dimethyl-propyl)-3-phenyl-2H-oxadiazol-3-ium-5-one Formula: C13H17N2O3+ MolecularWeight: 249.28568

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C1=[N+](NOC1=O)C2=CC=CC=C2)O

Isomeric SMILES

CC(C)C(C)(C1=[N+](NOC1=O)C2=CC=CC=C2)O

InChI

InChI=1S/C13H16N2O3/c1-9(2)13(3,17)11-12(16)18-14-15(11)10-7-5-4-6-8-10/h4-9,17H,1-3H3/p+1