ethyl 2-(3-quinolin-2-ylquinolin-1-ium-1-yl)ethanoate iodide

Systemtic Name: ethyl 2-(3-quinolin-2-ylquinolin-1-ium-1-yl)ethanoate iodide Openeye Name: ethyl 2-[3-(2-quinolyl)quinolin-1-ium-1-yl]acetate iodide CAS Name: 2-[3-(2-quinolinyl)-1-quinolin-1-iumyl]acetic acid ethyl ester iodide IUPAC Name: ethyl 2-(3-quinolin-2-ylquinolin-1-ium-1-yl)acetate iodide Traditional Name: 2-[3-(2-quinolyl)quinolin-1-ium-1-yl]acetic acid ethyl ester iodide Formula: C22H19IN2O2 MolecularWeight: 470.30293

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C[N+]1=CC(=CC2=CC=CC=C21)C3=NC4=CC=CC=C4C=C3.[I-]

Isomeric SMILES

CCOC(=O)C[N+]1=CC(=CC2=CC=CC=C21)C3=NC4=CC=CC=C4C=C3.[I-]

InChI

InChI=1S/C22H19N2O2.HI/c1-2-26-22(25)15-24-14-18(13-17-8-4-6-10-21(17)24)20-12-11-16-7-3-5-9-19(16)23-20;/h3-14H,2,15H2,1H3;1H/q+1;/p-1