3-(3-methylbutyl)-2H-1,2,3-oxadiazol-3-ium-5-one

Systemtic Name: 3-(3-methylbutyl)-2H-1,2,3-oxadiazol-3-ium-5-one Openeye Name: 3-isopentyl-2H-oxadiazol-3-ium-5-one CAS Name: 3-(3-methylbutyl)-2H-oxadiazol-3-ium-5-one IUPAC Name: 3-(3-methylbutyl)-2H-oxadiazol-3-ium-5-one Traditional Name: 3-isoamyl-2H-oxadiazol-3-ium-5-one Formula: C7H13N2O2+ MolecularWeight: 157.19032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC[N+]1=CC(=O)ON1

Isomeric SMILES

CC(C)CC[N+]1=CC(=O)ON1

InChI

InChI=1S/C7H12N2O2/c1-6(2)3-4-9-5-7(10)11-8-9/h5-6H,3-4H2,1-2H3/p+1