2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanoic acid

Systemtic Name: 2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanoic acid Openeye Name: 2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)acetic acid CAS Name: 2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)acetic acid IUPAC Name: 2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)acetic acid Traditional Name: 2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)acetic acid Formula: C10H10N3O2+ MolecularWeight: 204.2053

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)[N+]2=CN(N=C2)CC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)[N+]2=CN(N=C2)CC(=O)O

InChI

InChI=1S/C10H9N3O2/c14-10(15)6-13-8-12(7-11-13)9-4-2-1-3-5-9/h1-5,7-8H,6H2/p+1