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

Systemtic Name: (2S)-1-[2-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2S)-1-[2-[[2-(4-pyridyl)ethylamino]methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol CAS Name: (2S)-1-[2-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-3-(4-thiomorpholin-4-iumyl)-2-propanol IUPAC Name: (2S)-1-[2-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2S)-1-[2-[[2-(4-pyridyl)ethylamino]methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Formula: C21H30N3O2S+ MolecularWeight: 388.5468

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Descriptors Computed from Structure

Canonical SMILES:

C1CSCC[NH+]1CC(COC2=CC=CC=C2CNCCC3=CC=NC=C3)O

Isomeric SMILES

C1CSCC[NH+]1C[C@@H](COC2=CC=CC=C2CNCCC3=CC=NC=C3)O

InChI

InChI=1S/C21H29N3O2S/c25-20(16-24-11-13-27-14-12-24)17-26-21-4-2-1-3-19(21)15-23-10-7-18-5-8-22-9-6-18/h1-6,8-9,20,23,25H,7,10-17H2/p+1/t20-/m0/s1