2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyloxy]ethyl-trimethyl-azanium iodide

Systemtic Name: 2-[3-(3,5-ditert-butyl-4-oxidanyl-phenyl)propanoyloxy]ethyl-trimethyl-azanium iodide Openeye Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyloxy]ethyl-trimethyl-ammonium iodide CAS Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)-1-oxopropoxy]ethyl-trimethylammonium iodide IUPAC Name: 2-[3-(3,5-ditert-butyl-4-hydroxyphenyl)propanoyloxy]ethyl-trimethylazanium iodide Traditional Name: 2-[3-(3,5-ditert-butyl-4-hydroxy-phenyl)propanoyloxy]ethyl-trimethyl-ammonium iodide Formula: C22H38INO3 MolecularWeight: 491.44649

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC[N+](C)(C)C.[I-]

Isomeric SMILES

CC(C)(C)C1=CC(=CC(=C1O)C(C)(C)C)CCC(=O)OCC[N+](C)(C)C.[I-]

InChI

InChI=1S/C22H37NO3.HI/c1-21(2,3)17-14-16(15-18(20(17)25)22(4,5)6)10-11-19(24)26-13-12-23(7,8)9;/h14-15H,10-13H2,1-9H3;1H