1,1-dimethyl-5-oxidanylidene-4-(phenylmethyl)-1,2,4-triazol-1-ium-3-olate

Systemtic Name: 1,1-dimethyl-5-oxidanylidene-4-(phenylmethyl)-1,2,4-triazol-1-ium-3-olate Openeye Name: 4-benzyl-1,1-dimethyl-5-oxo-1,2,4-triazol-1-ium-3-olate CAS Name: 1,1-dimethyl-5-oxo-4-(phenylmethyl)-1,2,4-triazol-1-ium-3-olate IUPAC Name: 4-benzyl-1,1-dimethyl-5-oxo-1,2,4-triazol-1-ium-3-olate Traditional Name: 4-benzyl-5-keto-1,1-dimethyl-1,2,4-triazol-1-ium-3-olate Formula: C11H13N3O2 MolecularWeight: 219.23982

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(C(=O)N(C(=N1)[O-])CC2=CC=CC=C2)C

Isomeric SMILES

C[N+]1(C(=O)N(C(=N1)[O-])CC2=CC=CC=C2)C

InChI

InChI=1S/C11H13N3O2/c1-14(2)11(16)13(10(15)12-14)8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3