ethyl 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)ethanoate

Systemtic Name: ethyl 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)ethanoate Openeye Name: ethyl 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)acetate CAS Name: 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)acetic acid ethyl ester IUPAC Name: ethyl 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)acetate Traditional Name: 2-(3,5-dimethyl-1-phenyl-1,2,4-triazol-4-ium-4-yl)acetic acid ethyl ester Formula: C14H18N3O2+ MolecularWeight: 260.31162

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=C(N(N=C1C)C2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C[N+]1=C(N(N=C1C)C2=CC=CC=C2)C

InChI

InChI=1S/C14H18N3O2/c1-4-19-14(18)10-16-11(2)15-17(12(16)3)13-8-6-5-7-9-13/h5-9H,4,10H2,1-3H3/q+1