[4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-2-methoxy-phenyl] ethanoate iodide

Systemtic Name: [4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-2-methoxy-phenyl] ethanoate iodide Openeye Name: [4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)vinyl]-2-methoxy-phenyl] acetate iodide CAS Name: acetic acid [4-[(E)-2-(1-ethyl-2-quinolin-1-iumyl)ethenyl]-2-methoxyphenyl] ester iodide IUPAC Name: [4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)ethenyl]-2-methoxyphenyl] acetate iodide Traditional Name: acetic acid [4-[(E)-2-(1-ethylquinolin-1-ium-2-yl)vinyl]-2-methoxy-phenyl] ester iodide Formula: C22H22INO3 MolecularWeight: 475.31945

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H22NO3.HI/c1-4-23-19(13-11-18-7-5-6-8-20(18)23)12-9-17-10-14-21(26-16(2)24)22(15-17)25-3;/h5-15H,4H2,1-3H3;1H/q+1;/p-1/b12-9+;