1-[2-(dimethylazaniumyl)ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-(dimethylazaniumyl)ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-(dimethylammonio)ethyl]triazole-4-carboxylate CAS Name: 1-[2-(dimethylammonio)ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-(dimethylazaniumyl)ethyl]triazole-4-carboxylate Traditional Name: 1-[2-(dimethylammonio)ethyl]triazole-4-carboxylate Formula: C7H12N4O2 MolecularWeight: 184.19578

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](C)CCN1C=C(N=N1)C(=O)[O-]

Isomeric SMILES

C[NH+](C)CCN1C=C(N=N1)C(=O)[O-]

InChI

InChI=1S/C7H12N4O2/c1-10(2)3-4-11-5-6(7(12)13)8-9-11/h5H,3-4H2,1-2H3,(H,12,13)