[1-phenoxy-3-(1,3,5-trimethylpyrazol-1-ium-1-yl)propan-2-yl] ethanoate

Systemtic Name: [1-phenoxy-3-(1,3,5-trimethylpyrazol-1-ium-1-yl)propan-2-yl] ethanoate Openeye Name: [1-(phenoxymethyl)-2-(1,3,5-trimethylpyrazol-1-ium-1-yl)ethyl] acetate CAS Name: acetic acid [1-phenoxy-3-(1,3,5-trimethyl-1-pyrazol-1-iumyl)propan-2-yl] ester IUPAC Name: [1-phenoxy-3-(1,3,5-trimethylpyrazol-1-ium-1-yl)propan-2-yl] acetate Traditional Name: acetic acid [1-(phenoxymethyl)-2-(1,3,5-trimethylpyrazol-1-ium-1-yl)ethyl] ester Formula: C17H23N2O3+ MolecularWeight: 303.37612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=N[N+]1(C)CC(COC2=CC=CC=C2)OC(=O)C)C

Isomeric SMILES

CC1=CC(=N[N+]1(C)CC(COC2=CC=CC=C2)OC(=O)C)C

InChI

InChI=1S/C17H23N2O3/c1-13-10-14(2)19(4,18-13)11-17(22-15(3)20)12-21-16-8-6-5-7-9-16/h5-10,17H,11-12H2,1-4H3/q+1