2-(1-ethyl-3-phenyl-pyrazol-1-ium-1-yl)ethanoic acid

Systemtic Name: 2-(1-ethyl-3-phenyl-pyrazol-1-ium-1-yl)ethanoic acid Openeye Name: 2-(1-ethyl-3-phenyl-pyrazol-1-ium-1-yl)acetic acid CAS Name: 2-(1-ethyl-3-phenyl-1-pyrazol-1-iumyl)acetic acid IUPAC Name: 2-(1-ethyl-3-phenylpyrazol-1-ium-1-yl)acetic acid Traditional Name: 2-(1-ethyl-3-phenyl-pyrazol-1-ium-1-yl)acetic acid Formula: C13H15N2O2+ MolecularWeight: 231.2704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O2/c1-2-15(10-13(16)17)9-8-12(14-15)11-6-4-3-5-7-11/h3-9H,2,10H2,1H3/p+1