4-(phenylmethyl)-[1,2,3]triazolo[1,5-a]pyrazin-8-ium-8-carboxylate

Systemtic Name: 4-(phenylmethyl)-[1,2,3]triazolo[1,5-a]pyrazin-8-ium-8-carboxylate Openeye Name: 4-benzyltriazolo[1,5-a]pyrazin-8-ium-8-carboxylate CAS Name: 4-(phenylmethyl)-8-triazolo[1,5-a]pyrazin-8-iumcarboxylate IUPAC Name: 4-benzyltriazolo[1,5-a]pyrazin-8-ium-8-carboxylate Traditional Name: 4-benzyltriazolo[1,5-a]pyrazin-8-ium-8-carboxylate Formula: C13H10N4O2 MolecularWeight: 254.2441

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=NC=C[N+]3(C2=CN=N3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CC2=NC=C[N+]3(C2=CN=N3)C(=O)[O-]

InChI

InChI=1S/C13H10N4O2/c18-13(19)17-7-6-14-11(12(17)9-15-16-17)8-10-4-2-1-3-5-10/h1-7,9H,8H2