5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-1,2,4-triazol-2-ium-3-olate

Systemtic Name: 5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-1,2,4-triazol-2-ium-3-olate Openeye Name: 5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-1,2,4-triazol-2-ium-3-olate CAS Name: 5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-1,2,4-triazol-2-ium-3-olate IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-1,2,4-triazol-2-ium-3-olate Traditional Name: 2,2-dimethyl-5-veratryl-1,2,4-triazol-2-ium-3-olate Formula: C13H17N3O3 MolecularWeight: 263.29238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3O3/c1-16(2)13(17)14-12(15-16)8-9-5-6-10(18-3)11(7-9)19-4/h5-7H,8H2,1-4H3