1-[2-[2-cyanoethyl(methyl)azaniumyl]ethyl]-1,2,3-triazole-4-carboxylate

Systemtic Name: 1-[2-[2-cyanoethyl(methyl)azaniumyl]ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-[2-cyanoethyl(methyl)ammonio]ethyl]triazole-4-carboxylate CAS Name: 1-[2-[2-cyanoethyl(methyl)ammonio]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-[2-cyanoethyl(methyl)azaniumyl]ethyl]triazole-4-carboxylate Traditional Name: 1-[2-[2-cyanoethyl(methyl)ammonio]ethyl]triazole-4-carboxylate Formula: C9H13N5O2 MolecularWeight: 223.23182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C9H13N5O2/c1-13(4-2-3-10)5-6-14-7-8(9(15)16)11-12-14/h7H,2,4-6H2,1H3,(H,15,16)