1,1-dimethyl-5-oxidanylidene-4-prop-2-enyl-1,2,4-triazol-1-ium-3-olate

Systemtic Name: 1,1-dimethyl-5-oxidanylidene-4-prop-2-enyl-1,2,4-triazol-1-ium-3-olate Openeye Name: 4-allyl-1,1-dimethyl-5-oxo-1,2,4-triazol-1-ium-3-olate CAS Name: 1,1-dimethyl-5-oxo-4-prop-2-enyl-1,2,4-triazol-1-ium-3-olate IUPAC Name: 1,1-dimethyl-5-oxo-4-prop-2-enyl-1,2,4-triazol-1-ium-3-olate Traditional Name: 4-allyl-5-keto-1,1-dimethyl-1,2,4-triazol-1-ium-3-olate Formula: C7H11N3O2 MolecularWeight: 169.18114

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)N(C(=N1)[O-])CC=C)C

Isomeric SMILES

C[N+]1(C(=O)N(C(=N1)[O-])CC=C)C

InChI

InChI=1S/C7H11N3O2/c1-4-5-9-6(11)8-10(2,3)7(9)12/h4H,1,5H2,2-3H3