[2-(1H-imidazol-3-ium-3-yl)-1-phenyl-ethyl] ethanoate

Systemtic Name: [2-(1H-imidazol-3-ium-3-yl)-1-phenyl-ethyl] ethanoate Openeye Name: [2-(1H-imidazol-3-ium-3-yl)-1-phenyl-ethyl] acetate CAS Name: acetic acid [2-(1H-imidazol-3-ium-3-yl)-1-phenylethyl] ester IUPAC Name: [2-(1H-imidazol-3-ium-3-yl)-1-phenylethyl] acetate Traditional Name: acetic acid [2-(1H-imidazol-3-ium-3-yl)-1-phenyl-ethyl] ester Formula: C13H15N2O2+ MolecularWeight: 231.2704

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C[N+]1=CNC=C1)C2=CC=CC=C2

Isomeric SMILES

CC(=O)OC(C[N+]1=CNC=C1)C2=CC=CC=C2

InChI

InChI=1S/C13H14N2O2/c1-11(16)17-13(9-15-8-7-14-10-15)12-5-3-2-4-6-12/h2-8,10,13H,9H2,1H3/p+1