ethyl 2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanoate

Systemtic Name: ethyl 2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)ethanoate Openeye Name: ethyl 2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)acetate CAS Name: 2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)acetate Traditional Name: 2-(4-phenyl-1,2,4-triazol-4-ium-1-yl)acetic acid ethyl ester Formula: C12H14N3O2+ MolecularWeight: 232.25846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C=[N+](C=N1)C2=CC=CC=C2

Isomeric SMILES

CCOC(=O)CN1C=[N+](C=N1)C2=CC=CC=C2

InChI

InChI=1S/C12H14N3O2/c1-2-17-12(16)8-15-10-14(9-13-15)11-6-4-3-5-7-11/h3-7,9-10H,2,8H2,1H3/q+1