ethyl 1-methylquinolin-1-ium-6-carboxylate iodide

Systemtic Name: ethyl 1-methylquinolin-1-ium-6-carboxylate iodide Openeye Name: ethyl 1-methylquinolin-1-ium-6-carboxylate iodide CAS Name: 1-methyl-6-quinolin-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 1-methylquinolin-1-ium-6-carboxylate iodide Traditional Name: 1-methylquinolin-1-ium-6-carboxylic acid ethyl ester iodide Formula: C13H14INO2 MolecularWeight: 343.16023

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)[N+](=CC=C2)C.[I-]

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)[N+](=CC=C2)C.[I-]

InChI

InChI=1S/C13H14NO2.HI/c1-3-16-13(15)11-6-7-12-10(9-11)5-4-8-14(12)2;/h4-9H,3H2,1-2H3;1H/q+1;/p-1