(2S)-1-(5-methyl-2-propan-2-yl-phenoxy)-3-thiomorpholin-4-ium-4-yl-propan-2-ol

Systemtic Name: (2S)-1-(5-methyl-2-propan-2-yl-phenoxy)-3-thiomorpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-(2-isopropyl-5-methyl-phenoxy)-3-thiomorpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-(5-methyl-2-propan-2-ylphenoxy)-3-(4-thiomorpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-(5-methyl-2-propan-2-ylphenoxy)-3-thiomorpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-(2-isopropyl-5-methyl-phenoxy)-3-thiomorpholin-4-ium-4-yl-propan-2-ol Formula: C17H28NO2S+ MolecularWeight: 310.47472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCC(C[NH+]2CCSCC2)O

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OC[C@H](C[NH+]2CCSCC2)O

InChI

InChI=1S/C17H27NO2S/c1-13(2)16-5-4-14(3)10-17(16)20-12-15(19)11-18-6-8-21-9-7-18/h4-5,10,13,15,19H,6-9,11-12H2,1-3H3/p+1/t15-/m0/s1