(2S,4S,5R)-2-cyclohexyl-3,3,4-trimethyl-5-phenyl-1,3-oxazolidin-3-ium iodide

Systemtic Name: (2S,4S,5R)-2-cyclohexyl-3,3,4-trimethyl-5-phenyl-1,3-oxazolidin-3-ium iodide Openeye Name: (2S,4S,5R)-2-cyclohexyl-3,3,4-trimethyl-5-phenyl-oxazolidin-3-ium iodide CAS Name: (2S,4S,5R)-2-cyclohexyl-3,3,4-trimethyl-5-phenyloxazolidin-3-ium iodide IUPAC Name: (2S,4S,5R)-2-cyclohexyl-3,3,4-trimethyl-5-phenyl-1,3-oxazolidin-3-ium iodide Traditional Name: (2S,4S,5R)-2-cyclohexyl-3,3,4-trimethyl-5-phenyl-oxazolidin-3-ium iodide Formula: C18H28INO MolecularWeight: 401.32549

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC([N+]1(C)C)C2CCCCC2)C3=CC=CC=C3.[I-]

Isomeric SMILES

C[C@H]1[C@H](O[C@H]([N+]1(C)C)C2CCCCC2)C3=CC=CC=C3.[I-]

InChI

InChI=1S/C18H28NO.HI/c1-14-17(15-10-6-4-7-11-15)20-18(19(14,2)3)16-12-8-5-9-13-16;/h4,6-7,10-11,14,16-18H,5,8-9,12-13H2,1-3H3;1H/q+1;/p-1/t14-,17-,18-;/m0./s1