1,1-dimethyl-5-oxidanylidene-4-propan-2-yl-1,2,4-triazol-1-ium-3-olate

Systemtic Name: 1,1-dimethyl-5-oxidanylidene-4-propan-2-yl-1,2,4-triazol-1-ium-3-olate Openeye Name: 4-isopropyl-1,1-dimethyl-5-oxo-1,2,4-triazol-1-ium-3-olate CAS Name: 1,1-dimethyl-5-oxo-4-propan-2-yl-1,2,4-triazol-1-ium-3-olate IUPAC Name: 1,1-dimethyl-5-oxo-4-propan-2-yl-1,2,4-triazol-1-ium-3-olate Traditional Name: 4-isopropyl-5-keto-1,1-dimethyl-1,2,4-triazol-1-ium-3-olate Formula: C7H13N3O2 MolecularWeight: 171.19702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=N[N+](C1=O)(C)C)[O-]

Isomeric SMILES

CC(C)N1C(=N[N+](C1=O)(C)C)[O-]

InChI

InChI=1S/C7H13N3O2/c1-5(2)9-6(11)8-10(3,4)7(9)12/h5H,1-4H3