methyl 1-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-4-ium-3-carboxylate

Systemtic Name: methyl 1-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-4-ium-3-carboxylate Openeye Name: methyl 1-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-4-ium-3-carboxylate CAS Name: 1-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-4-ium-3-carboxylic acid methyl ester IUPAC Name: methyl 1-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-4-ium-3-carboxylate Traditional Name: 1-phenyl-[1,2,4]triazolo[4,3-a]pyrazin-4-ium-3-carboxylic acid methyl ester Formula: C13H11N4O2+ MolecularWeight: 255.25204

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=NN(C2=[N+]1C=CN=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=NN(C2=[N+]1C=CN=C2)C3=CC=CC=C3

InChI

InChI=1S/C13H11N4O2/c1-19-13(18)12-15-17(10-5-3-2-4-6-10)11-9-14-7-8-16(11)12/h2-9H,1H3/q+1