2-[4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]phenoxy]ethanol iodide

Systemtic Name: 2-[4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]phenoxy]ethanol iodide Openeye Name: 2-[4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)vinyl]phenoxy]ethanol iodide CAS Name: 2-[4-[(E)-2-(1-ethyl-2-quinolin-1-iumyl)ethenyl]phenoxy]ethanol iodide IUPAC Name: 2-[4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]phenoxy]ethanol iodide Traditional Name: 2-[4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)vinyl]phenoxy]ethanol iodide Formula: C21H22INO2 MolecularWeight: 447.30935

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC=C(C=C3)OCCO.[I-]

Isomeric SMILES

CC[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC=C(C=C3)OCCO.[I-]

InChI

InChI=1S/C21H22NO2.HI/c1-2-22-19(12-10-18-5-3-4-6-21(18)22)11-7-17-8-13-20(14-9-17)24-16-15-23;/h3-14,23H,2,15-16H2,1H3;1H/q+1;/p-1/b11-7+;