2-hydroxyethyl-dimethyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium iodide

Systemtic Name: 2-hydroxyethyl-dimethyl-[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]azanium iodide Openeye Name: 2-hydroxyethyl-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-dimethyl-ammonium iodide CAS Name: 2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylammonium iodide IUPAC Name: 2-hydroxyethyl-[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]-dimethylazanium iodide Traditional Name: 2-hydroxyethyl-[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]-dimethyl-ammonium iodide Formula: C13H22INO2 MolecularWeight: 351.22375

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H22NO2.HI/c1-11(14(2,3)9-10-15)13(16)12-7-5-4-6-8-12;/h4-8,11,13,15-16H,9-10H2,1-3H3;1H/q+1;/p-1/t11-,13-;/m0./s1