2-(2,8-dimethylquinolin-1-ium-4-yl)oxyethanoate

Systemtic Name: 2-(2,8-dimethylquinolin-1-ium-4-yl)oxyethanoate Openeye Name: 2-(2,8-dimethylquinolin-1-ium-4-yl)oxyacetate CAS Name: 2-[(2,8-dimethyl-4-quinolin-1-iumyl)oxy]acetate IUPAC Name: 2-(2,8-dimethylquinolin-1-ium-4-yl)oxyacetate Traditional Name: 2-(2,8-dimethylquinolin-1-ium-4-yl)oxyacetate Formula: C13H13NO3 MolecularWeight: 231.24722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1[NH+]=C(C=C2OCC(=O)[O-])C

Isomeric SMILES

CC1=CC=CC2=C1[NH+]=C(C=C2OCC(=O)[O-])C

InChI

InChI=1S/C13H13NO3/c1-8-4-3-5-10-11(17-7-12(15)16)6-9(2)14-13(8)10/h3-6H,7H2,1-2H3,(H,15,16)