ethyl 1-ethyl-2,3,3-trimethyl-4-oxidanyl-indol-1-ium-5-carboxylate iodide

Systemtic Name: ethyl 1-ethyl-2,3,3-trimethyl-4-oxidanyl-indol-1-ium-5-carboxylate iodide Openeye Name: ethyl 1-ethyl-4-hydroxy-2,3,3-trimethyl-indol-1-ium-5-carboxylate iodide CAS Name: 1-ethyl-4-hydroxy-2,3,3-trimethyl-5-indol-1-iumcarboxylic acid ethyl ester iodide IUPAC Name: ethyl 1-ethyl-4-hydroxy-2,3,3-trimethylindol-1-ium-5-carboxylate iodide Traditional Name: 1-ethyl-4-hydroxy-2,3,3-trimethyl-indol-1-ium-5-carboxylic acid ethyl ester iodide Formula: C16H22INO3 MolecularWeight: 403.25525

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C(C2=C1C=CC(=C2O)C(=O)OCC)(C)C)C.[I-]

Isomeric SMILES

CC[N+]1=C(C(C2=C1C=CC(=C2O)C(=O)OCC)(C)C)C.[I-]

InChI

InChI=1S/C16H21NO3.HI/c1-6-17-10(3)16(4,5)13-12(17)9-8-11(14(13)18)15(19)20-7-2;/h8-9H,6-7H2,1-5H3;1H