2-[5,7-bis(chloranyl)-2-methyl-quinolin-1-ium-8-yl]oxyethanoate

Systemtic Name: 2-[5,7-bis(chloranyl)-2-methyl-quinolin-1-ium-8-yl]oxyethanoate Openeye Name: 2-(5,7-dichloro-2-methyl-quinolin-1-ium-8-yl)oxyacetate CAS Name: 2-[(5,7-dichloro-2-methyl-8-quinolin-1-iumyl)oxy]acetate IUPAC Name: 2-(5,7-dichloro-2-methylquinolin-1-ium-8-yl)oxyacetate Traditional Name: 2-(5,7-dichloro-2-methyl-quinolin-1-ium-8-yl)oxyacetate Formula: C12H9Cl2NO3 MolecularWeight: 286.11076

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=[NH+]C2=C(C=C1)C(=CC(=C2OCC(=O)[O-])Cl)Cl

Isomeric SMILES

CC1=[NH+]C2=C(C=C1)C(=CC(=C2OCC(=O)[O-])Cl)Cl

InChI

InChI=1S/C12H9Cl2NO3/c1-6-2-3-7-8(13)4-9(14)12(11(7)15-6)18-5-10(16)17/h2-4H,5H2,1H3,(H,16,17)