4-[2-(6-ethoxy-1-methyl-quinolin-1-ium-2-yl)ethenyl]benzene-1,2-diol iodide

Systemtic Name: 4-[2-(6-ethoxy-1-methyl-quinolin-1-ium-2-yl)ethenyl]benzene-1,2-diol iodide Openeye Name: 4-[2-(6-ethoxy-1-methyl-quinolin-1-ium-2-yl)vinyl]benzene-1,2-diol iodide CAS Name: 4-[2-(6-ethoxy-1-methyl-2-quinolin-1-iumyl)ethenyl]benzene-1,2-diol iodide IUPAC Name: 4-[2-(6-ethoxy-1-methylquinolin-1-ium-2-yl)ethenyl]benzene-1,2-diol iodide Traditional Name: 4-[2-(6-ethoxy-1-methyl-quinolin-1-ium-2-yl)vinyl]pyrocatechol iodide Formula: C20H20INO3 MolecularWeight: 449.28217

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=CC(=C(C=C3)O)O)C.[I-]

Isomeric SMILES

CCOC1=CC2=C(C=C1)[N+](=C(C=C2)C=CC3=CC(=C(C=C3)O)O)C.[I-]

InChI

InChI=1S/C20H19NO3.HI/c1-3-24-17-9-10-18-15(13-17)6-8-16(21(18)2)7-4-14-5-11-19(22)20(23)12-14;/h4-13,23H,3H2,1-2H3;1H