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

Systemtic Name: 1-[2-[ethyl-(phenylmethyl)azaniumyl]ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-[benzyl(ethyl)ammonio]ethyl]triazole-4-carboxylate CAS Name: 1-[2-[ethyl-(phenylmethyl)ammonio]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-[benzyl(ethyl)azaniumyl]ethyl]triazole-4-carboxylate Traditional Name: 1-[2-[benzyl(ethyl)ammonio]ethyl]triazole-4-carboxylate Formula: C14H18N4O2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4O2/c1-2-17(10-12-6-4-3-5-7-12)8-9-18-11-13(14(19)20)15-16-18/h3-7,11H,2,8-10H2,1H3,(H,19,20)