[2-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl] ethanoate iodide

Systemtic Name: [2-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl] ethanoate iodide Openeye Name: [2-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]phenyl] acetate iodide CAS Name: acetic acid [2-[(E)-2-(1-methyl-2-quinolin-1-iumyl)ethenyl]phenyl] ester iodide IUPAC Name: [2-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenyl] acetate iodide Traditional Name: acetic acid [2-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]phenyl] ester iodide Formula: C20H18INO2 MolecularWeight: 431.26689

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC1=CC=CC=C1C=CC2=[N+](C3=CC=CC=C3C=C2)C.[I-]

Isomeric SMILES

CC(=O)OC1=CC=CC=C1/C=C/C2=[N+](C3=CC=CC=C3C=C2)C.[I-]

InChI

InChI=1S/C20H18NO2.HI/c1-15(22)23-20-10-6-4-8-17(20)12-14-18-13-11-16-7-3-5-9-19(16)21(18)2;/h3-14H,1-2H3;1H/q+1;/p-1/b14-12+;