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

Systemtic Name: 5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-4H-1,2,4-triazol-2-ium-3-one Openeye Name: 5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-4H-1,2,4-triazol-2-ium-3-one CAS Name: 5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-4H-1,2,4-triazol-2-ium-3-one IUPAC Name: 5-[(3,4-dimethoxyphenyl)methyl]-2,2-dimethyl-4H-1,2,4-triazol-2-ium-3-one Traditional Name: 2,2-dimethyl-5-veratryl-4H-1,2,4-triazol-2-ium-3-one Formula: C13H18N3O3+ MolecularWeight: 264.30032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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