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

Systemtic Name: ethyl 2-(1-methyl-1,2,4-triazol-4-ium-4-yl)ethanoate Openeye Name: ethyl 2-(1-methyl-1,2,4-triazol-4-ium-4-yl)acetate CAS Name: 2-(1-methyl-1,2,4-triazol-4-ium-4-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(1-methyl-1,2,4-triazol-4-ium-4-yl)acetate Traditional Name: 2-(1-methyl-1,2,4-triazol-4-ium-4-yl)acetic acid ethyl ester Formula: C7H12N3O2+ MolecularWeight: 170.18908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CN(N=C1)C

Isomeric SMILES

CCOC(=O)C[N+]1=CN(N=C1)C

InChI

InChI=1S/C7H12N3O2/c1-3-12-7(11)4-10-5-8-9(2)6-10/h5-6H,3-4H2,1-2H3/q+1