trimethyl-(2-oxidanyl-2-phenyl-ethyl)azanium benzoate hydroiodide

Systemtic Name: trimethyl-(2-oxidanyl-2-phenyl-ethyl)azanium benzoate hydroiodide Openeye Name: (2-hydroxy-2-phenyl-ethyl)-trimethyl-ammonium benzoate hydroiodide CAS Name: (2-hydroxy-2-phenylethyl)-trimethylammonium benzoate hydroiodide IUPAC Name: (2-hydroxy-2-phenylethyl)-trimethylazanium benzoate hydroiodide Traditional Name: (2-hydroxy-2-phenyl-ethyl)-trimethyl-ammonium benzoate hydroiodide Formula: C18H24INO3 MolecularWeight: 429.29253

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18NO.C7H6O2.HI/c1-12(2,3)9-11(13)10-7-5-4-6-8-10;8-7(9)6-4-2-1-3-5-6;/h4-8,11,13H,9H2,1-3H3;1-5H,(H,8,9);1H/q+1;;/p-1