2-[2,6-dimethoxy-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol iodide

Systemtic Name: 2-[2,6-dimethoxy-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol iodide Openeye Name: 2-[2,6-dimethoxy-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]phenoxy]-6-(hydroxymethyl)tetrahydropyran-3,4,5-triol iodide CAS Name: 2-[2,6-dimethoxy-4-[(E)-2-(1-methyl-2-quinolin-1-iumyl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol iodide IUPAC Name: 2-[2,6-dimethoxy-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)ethenyl]phenoxy]-6-(hydroxymethyl)oxane-3,4,5-triol iodide Traditional Name: 2-[2,6-dimethoxy-4-[(E)-2-(1-methylquinolin-1-ium-2-yl)vinyl]phenoxy]-6-methylol-tetrahydropyran-3,4,5-triol iodide Formula: C26H30INO8 MolecularWeight: 611.42277

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C(C=CC2=CC=CC=C21)C=CC3=CC(=C(C(=C3)OC)OC4C(C(C(C(O4)CO)O)O)O)OC.[I-]

Isomeric SMILES

C[N+]1=C(C=CC2=CC=CC=C21)/C=C/C3=CC(=C(C(=C3)OC)OC4C(C(C(C(O4)CO)O)O)O)OC.[I-]

InChI

InChI=1S/C26H30NO8.HI/c1-27-17(11-9-16-6-4-5-7-18(16)27)10-8-15-12-19(32-2)25(20(13-15)33-3)35-26-24(31)23(30)22(29)21(14-28)34-26;/h4-13,21-24,26,28-31H,14H2,1-3H3;1H/q+1;/p-1/b10-8+;