[4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] ethanoate

Systemtic Name: [4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] ethanoate Openeye Name: [4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] acetate CAS Name: acetic acid [4-[(3-methyl-1-imidazol-3-iumyl)methyl]phenyl] ester IUPAC Name: [4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] acetate Traditional Name: acetic acid [4-[(3-methylimidazol-3-ium-1-yl)methyl]phenyl] ester Formula: C13H15N2O2+ MolecularWeight: 231.2704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=C(C=C1)CN2C=C[N+](=C2)C

Isomeric SMILES

CC(=O)OC1=CC=C(C=C1)CN2C=C[N+](=C2)C

InChI

InChI=1S/C13H15N2O2/c1-11(16)17-13-5-3-12(4-6-13)9-15-8-7-14(2)10-15/h3-8,10H,9H2,1-2H3/q+1