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

Systemtic Name: (2R)-1-[2-methoxy-4-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Openeye Name: (2R)-1-[2-methoxy-4-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol CAS Name: (2R)-1-[2-methoxy-4-[[2-(2-pyrazinyl)ethylamino]methyl]phenoxy]-3-(4-thiomorpholin-4-iumyl)-2-propanol IUPAC Name: (2R)-1-[2-methoxy-4-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-ium-4-ylpropan-2-ol Traditional Name: (2R)-1-[2-methoxy-4-[(2-pyrazin-2-ylethylamino)methyl]phenoxy]-3-thiomorpholin-4-ium-4-yl-propan-2-ol Formula: C21H31N4O3S+ MolecularWeight: 419.56084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30N4O3S/c1-27-21-12-17(13-22-5-4-18-14-23-6-7-24-18)2-3-20(21)28-16-19(26)15-25-8-10-29-11-9-25/h2-3,6-7,12,14,19,22,26H,4-5,8-11,13,15-16H2,1H3/p+1/t19-/m1/s1