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

Systemtic Name: 1-[2-[(3-fluorophenyl)methyl-methyl-azaniumyl]ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-[(3-fluorophenyl)methyl-methyl-ammonio]ethyl]triazole-4-carboxylate CAS Name: 1-[2-[(3-fluorophenyl)methyl-methylammonio]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-[(3-fluorophenyl)methyl-methylazaniumyl]ethyl]triazole-4-carboxylate Traditional Name: 1-[2-[(3-fluorobenzyl)-methyl-ammonio]ethyl]triazole-4-carboxylate Formula: C13H15FN4O2 MolecularWeight: 278.282203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15FN4O2/c1-17(8-10-3-2-4-11(14)7-10)5-6-18-9-12(13(19)20)15-16-18/h2-4,7,9H,5-6,8H2,1H3,(H,19,20)