trimethyl-[[(2R,4R,5S)-5-methyl-4-(phenylcarbonyloxy)oxolan-2-yl]methyl]azanium iodide

Systemtic Name: trimethyl-[[(2R,4R,5S)-5-methyl-4-(phenylcarbonyloxy)oxolan-2-yl]methyl]azanium iodide Openeye Name: [(2R,4R,5S)-4-benzoyloxy-5-methyl-tetrahydrofuran-2-yl]methyl-trimethyl-ammonium iodide CAS Name: [(2R,4R,5S)-4-benzoyloxy-5-methyl-2-oxolanyl]methyl-trimethylammonium iodide IUPAC Name: [(2R,4R,5S)-4-benzoyloxy-5-methyloxolan-2-yl]methyl-trimethylazanium iodide Traditional Name: [(2R,4R,5S)-4-benzoyloxy-5-methyl-tetrahydrofuran-2-yl]methyl-trimethyl-ammonium iodide Formula: C16H24INO3 MolecularWeight: 405.27113

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CC(O1)C[N+](C)(C)C)OC(=O)C2=CC=CC=C2.[I-]

Isomeric SMILES

C[C@H]1[C@@H](C[C@@H](O1)C[N+](C)(C)C)OC(=O)C2=CC=CC=C2.[I-]

InChI

InChI=1S/C16H24NO3.HI/c1-12-15(10-14(19-12)11-17(2,3)4)20-16(18)13-8-6-5-7-9-13;/h5-9,12,14-15H,10-11H2,1-4H3;1H/q+1;/p-1/t12-,14+,15+;/m0./s1