(5-tert-butyl-2-oxidanyl-phenyl)-trimethyl-azanium; N,N-dimethylcarbamate; iodide

Systemtic Name: (5-tert-butyl-2-oxidanyl-phenyl)-trimethyl-azanium; N,N-dimethylcarbamate; iodide Openeye Name: (5-tert-butyl-2-hydroxy-phenyl)-trimethyl-ammonium; N,N-dimethylcarbamate; iodide CAS Name: (5-tert-butyl-2-hydroxyphenyl)-trimethylammonium; N,N-dimethylcarbamate; iodide IUPAC Name: (5-tert-butyl-2-hydroxyphenyl)-trimethylazanium; N,N-dimethylcarbamate; iodide Traditional Name: (5-tert-butyl-2-hydroxy-phenyl)-trimethyl-ammonium; N,N-dimethylcarbamate; iodide Formula: C16H28IN2O3- MolecularWeight: 423.30959

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C=C1)O)[N+](C)(C)C.CN(C)C(=O)[O-].[I-]

Isomeric SMILES

CC(C)(C)C1=CC(=C(C=C1)O)[N+](C)(C)C.CN(C)C(=O)[O-].[I-]

InChI

InChI=1S/C13H21NO.C3H7NO2.HI/c1-13(2,3)10-7-8-12(15)11(9-10)14(4,5)6;1-4(2)3(5)6;/h7-9H,1-6H3;1-2H3,(H,5,6);1H/p-1