[2,6-dimethyl-4-[(1-methyl-1,2,4-triazol-4-ium-4-yl)methyl]phenyl] ethanoate

Systemtic Name: [2,6-dimethyl-4-[(1-methyl-1,2,4-triazol-4-ium-4-yl)methyl]phenyl] ethanoate Openeye Name: [2,6-dimethyl-4-[(1-methyl-1,2,4-triazol-4-ium-4-yl)methyl]phenyl] acetate CAS Name: acetic acid [2,6-dimethyl-4-[(1-methyl-1,2,4-triazol-4-ium-4-yl)methyl]phenyl] ester IUPAC Name: [2,6-dimethyl-4-[(1-methyl-1,2,4-triazol-4-ium-4-yl)methyl]phenyl] acetate Traditional Name: acetic acid [2,6-dimethyl-4-[(1-methyl-1,2,4-triazol-4-ium-4-yl)methyl]phenyl] ester Formula: C14H18N3O2+ MolecularWeight: 260.31162

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C)C)C[N+]2=CN(N=C2)C

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C)C)C[N+]2=CN(N=C2)C

InChI

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