(2S)-2-[(2R,5S)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]-1,1-dimethyl-pyrrolidin-1-ium iodide

Systemtic Name: (2S)-2-[(2R,5S)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]-1,1-dimethyl-pyrrolidin-1-ium iodide Openeye Name: (2S)-2-[(2R,5S)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]-1,1-dimethyl-pyrrolidin-1-ium iodide CAS Name: (2S)-2-[(2R,5S)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]-1,1-dimethylpyrrolidin-1-ium iodide IUPAC Name: (2S)-2-[(2R,5S)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]-1,1-dimethylpyrrolidin-1-ium iodide Traditional Name: (2S)-2-[(2R,5S)-2-cyclohexyl-2-phenyl-1,3-oxathiolan-5-yl]-1,1-dimethyl-pyrrolidin-1-ium iodide Formula: C21H32INOS MolecularWeight: 473.45435

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1(CCCC1C2CSC(O2)(C3CCCCC3)C4=CC=CC=C4)C.[I-]

Isomeric SMILES

C[N+]1(CCC[C@H]1[C@H]2CS[C@](O2)(C3CCCCC3)C4=CC=CC=C4)C.[I-]

InChI

InChI=1S/C21H32NOS.HI/c1-22(2)15-9-14-19(22)20-16-24-21(23-20,17-10-5-3-6-11-17)18-12-7-4-8-13-18;/h3,5-6,10-11,18-20H,4,7-9,12-16H2,1-2H3;1H/q+1;/p-1/t19-,20+,21-;/m0./s1