methyl 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate iodide

Systemtic Name: methyl 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate iodide Openeye Name: methyl 2-[(E)-2-(4-hydroxyphenyl)vinyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylate iodide CAS Name: 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1,3,3-trimethyl-5-indol-1-iumcarboxylic acid methyl ester iodide IUPAC Name: methyl 2-[(E)-2-(4-hydroxyphenyl)ethenyl]-1,3,3-trimethylindol-1-ium-5-carboxylate iodide Traditional Name: 2-[(E)-2-(4-hydroxyphenyl)vinyl]-1,3,3-trimethyl-indol-1-ium-5-carboxylic acid methyl ester iodide Formula: C21H22INO3 MolecularWeight: 463.30875

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)C(=O)OC)[N+](=C1C=CC3=CC=C(C=C3)O)C)C.[I-]

Isomeric SMILES

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

InChI

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