1-[5-ethyl-2,4-bis(oxidanyl)phenyl]-2-(1H-imidazol-3-ium-5-yl)ethanone

Systemtic Name: 1-[5-ethyl-2,4-bis(oxidanyl)phenyl]-2-(1H-imidazol-3-ium-5-yl)ethanone Openeye Name: 1-(5-ethyl-2,4-dihydroxy-phenyl)-2-(1H-imidazol-3-ium-5-yl)ethanone CAS Name: 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1H-imidazol-3-ium-5-yl)ethanone IUPAC Name: 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1H-imidazol-3-ium-5-yl)ethanone Traditional Name: 1-(5-ethyl-2,4-dihydroxy-phenyl)-2-(1H-imidazol-3-ium-5-yl)ethanone Formula: C13H15N2O3+ MolecularWeight: 247.2698

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C(=O)CC2=C[NH+]=CN2)O)O

Isomeric SMILES

CCC1=C(C=C(C(=C1)C(=O)CC2=C[NH+]=CN2)O)O

InChI

InChI=1S/C13H14N2O3/c1-2-8-3-10(13(18)5-11(8)16)12(17)4-9-6-14-7-15-9/h3,5-7,16,18H,2,4H2,1H3,(H,14,15)/p+1