[(3R,4R)-4-(3-methoxyphenyl)-1-methyl-4-oxidanyl-thian-1-ium-3-yl]methyl-trimethyl-azanium diiodide

Systemtic Name: [(3R,4R)-4-(3-methoxyphenyl)-1-methyl-4-oxidanyl-thian-1-ium-3-yl]methyl-trimethyl-azanium diiodide Openeye Name: [(3R,4R)-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-tetrahydrothiopyran-1-ium-3-yl]methyl-trimethyl-ammonium diiodide CAS Name: [(3R,4R)-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-3-thian-1-iumyl]methyl-trimethylammonium diiodide IUPAC Name: [(3R,4R)-4-hydroxy-4-(3-methoxyphenyl)-1-methylthian-1-ium-3-yl]methyl-trimethylazanium diiodide Traditional Name: [(3R,4R)-4-hydroxy-4-(3-methoxyphenyl)-1-methyl-tetrahydrothiopyran-1-ium-3-yl]methyl-trimethyl-ammonium diiodide Formula: C17H29I2NO2S MolecularWeight: 565.2916

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC1C[S+](CCC1(C2=CC(=CC=C2)OC)O)C.[I-].[I-]

Isomeric SMILES

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

InChI

InChI=1S/C17H29NO2S.2HI/c1-18(2,3)12-15-13-21(5)10-9-17(15,19)14-7-6-8-16(11-14)20-4;;/h6-8,11,15,19H,9-10,12-13H2,1-5H3;2*1H/q+2;;/p-2/t15-,17-,21?;;/m0../s1