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

Systemtic Name: 1-[2-[methyl-[(4-methylphenyl)methyl]azaniumyl]ethyl]-1,2,3-triazole-4-carboxylate Openeye Name: 1-[2-[methyl(p-tolylmethyl)ammonio]ethyl]triazole-4-carboxylate CAS Name: 1-[2-[methyl-[(4-methylphenyl)methyl]ammonio]ethyl]-4-triazolecarboxylate IUPAC Name: 1-[2-[methyl-[(4-methylphenyl)methyl]azaniumyl]ethyl]triazole-4-carboxylate Traditional Name: 1-[2-[methyl-(4-methylbenzyl)ammonio]ethyl]triazole-4-carboxylate Formula: C14H18N4O2 MolecularWeight: 274.31832

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C[NH+](C)CCN2C=C(N=N2)C(=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C[NH+](C)CCN2C=C(N=N2)C(=O)[O-]

InChI

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