[1-phenyl-2-(1,3,5-trimethylpyrazol-1-ium-1-yl)ethyl] ethanoate

Systemtic Name: [1-phenyl-2-(1,3,5-trimethylpyrazol-1-ium-1-yl)ethyl] ethanoate Openeye Name: [1-phenyl-2-(1,3,5-trimethylpyrazol-1-ium-1-yl)ethyl] acetate CAS Name: acetic acid [1-phenyl-2-(1,3,5-trimethyl-1-pyrazol-1-iumyl)ethyl] ester IUPAC Name: [1-phenyl-2-(1,3,5-trimethylpyrazol-1-ium-1-yl)ethyl] acetate Traditional Name: acetic acid [1-phenyl-2-(1,3,5-trimethylpyrazol-1-ium-1-yl)ethyl] ester Formula: C16H21N2O2+ MolecularWeight: 273.35014

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N[N+]1(C)CC(C2=CC=CC=C2)OC(=O)C)C

Isomeric SMILES

CC1=CC(=N[N+]1(C)CC(C2=CC=CC=C2)OC(=O)C)C

InChI

InChI=1S/C16H21N2O2/c1-12-10-13(2)18(4,17-12)11-16(20-14(3)19)15-8-6-5-7-9-15/h5-10,16H,11H2,1-4H3/q+1