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

Systemtic Name: (2R)-1-[2-methoxy-4-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2R)-1-[2-methoxy-4-[[2-(4-pyridyl)ethylamino]methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol CAS Name: (2R)-1-[2-methoxy-4-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-3-(4-thiomorpholin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-4-[(2-pyridin-4-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2R)-1-[2-methoxy-4-[[2-(4-pyridyl)ethylamino]methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Formula: C22H32N3O3S+ MolecularWeight: 418.57278

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CNCCC2=CC=NC=C2)OCC(C[NH+]3CCSCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)CNCCC2=CC=NC=C2)OC[C@@H](C[NH+]3CCSCC3)O

InChI

InChI=1S/C22H31N3O3S/c1-27-22-14-19(15-24-9-6-18-4-7-23-8-5-18)2-3-21(22)28-17-20(26)16-25-10-12-29-13-11-25/h2-5,7-8,14,20,24,26H,6,9-13,15-17H2,1H3/p+1/t20-/m1/s1