(2S)-1-[2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol

Systemtic Name: (2S)-1-[2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-[2-[(2-morpholinoethylamino)methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-[2-[[2-(4-morpholinyl)ethylamino]methyl]phenoxy]-3-(4-thiomorpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-[(2-morpholin-4-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-[2-[(2-morpholinoethylamino)methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Formula: C20H34N3O3S+ MolecularWeight: 396.56726

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC(COC2=CC=CC=C2CNCCN3CCOCC3)O

Isomeric SMILES

C1CSCC[NH+]1C[C@@H](COC2=CC=CC=C2CNCCN3CCOCC3)O

InChI

InChI=1S/C20H33N3O3S/c24-19(16-23-9-13-27-14-10-23)17-26-20-4-2-1-3-18(20)15-21-5-6-22-7-11-25-12-8-22/h1-4,19,21,24H,5-17H2/p+1/t19-/m0/s1