tert-butyl 1,2,3,3-tetramethyl-5-oxidanyl-indol-1-ium-4-carboxylate iodide

Systemtic Name: tert-butyl 1,2,3,3-tetramethyl-5-oxidanyl-indol-1-ium-4-carboxylate iodide Openeye Name: tert-butyl 5-hydroxy-1,2,3,3-tetramethyl-indol-1-ium-4-carboxylate iodide CAS Name: 5-hydroxy-1,2,3,3-tetramethyl-4-indol-1-iumcarboxylic acid tert-butyl ester iodide IUPAC Name: tert-butyl 5-hydroxy-1,2,3,3-tetramethylindol-1-ium-4-carboxylate iodide Traditional Name: 5-hydroxy-1,2,3,3-tetramethyl-indol-1-ium-4-carboxylic acid tert-butyl ester iodide Formula: C17H24INO3 MolecularWeight: 417.28183

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23NO3.HI/c1-10-17(5,6)14-11(18(10)7)8-9-12(19)13(14)15(20)21-16(2,3)4;/h8-9H,1-7H3;1H