2-[3-(3-chlorophenyl)-1-ethyl-pyrazol-1-ium-1-yl]ethanoate

Systemtic Name: 2-[3-(3-chlorophenyl)-1-ethyl-pyrazol-1-ium-1-yl]ethanoate Openeye Name: 2-[3-(3-chlorophenyl)-1-ethyl-pyrazol-1-ium-1-yl]acetate CAS Name: 2-[3-(3-chlorophenyl)-1-ethyl-1-pyrazol-1-iumyl]acetate IUPAC Name: 2-[3-(3-chlorophenyl)-1-ethylpyrazol-1-ium-1-yl]acetate Traditional Name: 2-[3-(3-chlorophenyl)-1-ethyl-pyrazol-1-ium-1-yl]acetate Formula: C13H13ClN2O2 MolecularWeight: 264.70752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1(C=CC(=N1)C2=CC(=CC=C2)Cl)CC(=O)[O-]

Isomeric SMILES

CC[N+]1(C=CC(=N1)C2=CC(=CC=C2)Cl)CC(=O)[O-]

InChI

InChI=1S/C13H13ClN2O2/c1-2-16(9-13(17)18)7-6-12(15-16)10-4-3-5-11(14)8-10/h3-8H,2,9H2,1H3