4-(2-oxidanylbutan-2-yl)-3-phenyl-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 4-(2-oxidanylbutan-2-yl)-3-phenyl-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 4-(1-hydroxy-1-methyl-propyl)-3-phenyl-2H-oxadiazol-3-ium-5-one CAS Name: 4-(2-hydroxybutan-2-yl)-3-phenyl-2H-oxadiazol-3-ium-5-one IUPAC Name: 4-(2-hydroxybutan-2-yl)-3-phenyl-2H-oxadiazol-3-ium-5-one Traditional Name: 4-(1-hydroxy-1-methyl-propyl)-3-phenyl-2H-oxadiazol-3-ium-5-one Formula: C12H15N2O3+ MolecularWeight: 235.2591

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O3/c1-3-12(2,16)10-11(15)17-13-14(10)9-7-5-4-6-8-9/h4-8,16H,3H2,1-2H3/p+1