[4-[[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]methyl]phenyl] ethanoate

Systemtic Name: [4-[[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]methyl]phenyl] ethanoate Openeye Name: [4-[[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]methyl]phenyl] acetate CAS Name: acetic acid [4-[[3-(2,4,6-trimethylphenyl)-1-imidazol-1-iumyl]methyl]phenyl] ester IUPAC Name: [4-[[3-(2,4,6-trimethylphenyl)imidazol-1-ium-1-yl]methyl]phenyl] acetate Traditional Name: acetic acid [4-[(3-mesitylimidazol-1-ium-1-yl)methyl]phenyl] ester Formula: C21H23N2O2+ MolecularWeight: 335.41952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)CC3=CC=C(C=C3)OC(=O)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)N2C=C[N+](=C2)CC3=CC=C(C=C3)OC(=O)C)C

InChI

InChI=1S/C21H23N2O2/c1-15-11-16(2)21(17(3)12-15)23-10-9-22(14-23)13-19-5-7-20(8-6-19)25-18(4)24/h5-12,14H,13H2,1-4H3/q+1