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

Systemtic Name: 1-[2-[methyl(2-pyridin-2-ylethyl)azaniumyl]ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-[methyl-[2-(2-pyridyl)ethyl]ammonio]ethyl]triazole-4-carboxylate CAS Name: 1-[2-[methyl-[2-(2-pyridinyl)ethyl]ammonio]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-[methyl(2-pyridin-2-ylethyl)azaniumyl]ethyl]triazole-4-carboxylate Traditional Name: 1-[2-[methyl-[2-(2-pyridyl)ethyl]ammonio]ethyl]triazole-4-carboxylate Formula: C13H17N5O2 MolecularWeight: 275.30638

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CCC1=CC=CC=N1)CCN2C=C(N=N2)C(=O)[O-]

Isomeric SMILES

C[NH+](CCC1=CC=CC=N1)CCN2C=C(N=N2)C(=O)[O-]

InChI

InChI=1S/C13H17N5O2/c1-17(7-5-11-4-2-3-6-14-11)8-9-18-10-12(13(19)20)15-16-18/h2-4,6,10H,5,7-9H2,1H3,(H,19,20)