methyl 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate iodide

Systemtic Name: methyl 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate iodide Openeye Name: methyl 2-[(E)-2-(2-hydroxyphenyl)vinyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate iodide CAS Name: 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3,3-trimethyl-5-indol-1-iumcarboxylic acid methyl ester iodide IUPAC Name: methyl 2-[(E)-2-(2-hydroxyphenyl)ethenyl]-1,3,3-trimethylindol-1-ium-5-carboxylate iodide Traditional Name: 2-[(E)-2-(2-hydroxyphenyl)vinyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylic acid methyl ester iodide Formula: C21H22INO3 MolecularWeight: 463.30875

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C(=O)OC)[N+](=C1C=CC3=CC=CC=C3O)C)C.[I-]

Isomeric SMILES

CC1(C2=C(C=CC(=C2)C(=O)OC)[N+](=C1/C=C/C3=CC=CC=C3O)C)C.[I-]

InChI

InChI=1S/C21H21NO3.HI/c1-21(2)16-13-15(20(24)25-4)9-11-17(16)22(3)19(21)12-10-14-7-5-6-8-18(14)23;/h5-13H,1-4H3;1H