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

Systemtic Name: 1-[2-[methyl-(phenylmethyl)azaniumyl]ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-[benzyl(methyl)ammonio]ethyl]triazole-4-carboxylate CAS Name: 1-[2-[methyl-(phenylmethyl)ammonio]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-[benzyl(methyl)azaniumyl]ethyl]triazole-4-carboxylate Traditional Name: 1-[2-[benzyl(methyl)ammonio]ethyl]triazole-4-carboxylate Formula: C13H16N4O2 MolecularWeight: 260.29174

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCN1C=C(N=N1)C(=O)[O-])CC2=CC=CC=C2

Isomeric SMILES

C[NH+](CCN1C=C(N=N1)C(=O)[O-])CC2=CC=CC=C2

InChI

InChI=1S/C13H16N4O2/c1-16(9-11-5-3-2-4-6-11)7-8-17-10-12(13(18)19)14-15-17/h2-6,10H,7-9H2,1H3,(H,18,19)