4-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]benzene-1,2-diol iodide

Systemtic Name: 4-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]benzene-1,2-diol iodide Openeye Name: 4-[2-(1-methylquinolin-1-ium-2-yl)vinyl]benzene-1,2-diol iodide CAS Name: 4-[2-(1-methyl-2-quinolin-1-iumyl)ethenyl]benzene-1,2-diol iodide IUPAC Name: 4-[2-(1-methylquinolin-1-ium-2-yl)ethenyl]benzene-1,2-diol iodide Traditional Name: 4-[2-(1-methylquinolin-1-ium-2-yl)vinyl]pyrocatechol iodide Formula: C18H16INO2 MolecularWeight: 405.22961

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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)O)O.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C18H15NO2.HI/c1-19-15(10-8-14-4-2-3-5-16(14)19)9-6-13-7-11-17(20)18(21)12-13;/h2-12,21H,1H3;1H