(2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propan-2-ol

Systemtic Name: (2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propan-2-ol Openeye Name: (2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propan-2-ol CAS Name: (2R)-1-(1-azocan-1-iumyl)-3-[2-methoxy-4-(4-thiomorpholin-4-iumylmethyl)phenoxy]-2-propanol IUPAC Name: (2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propan-2-ol Traditional Name: (2R)-1-(azocan-1-ium-1-yl)-3-[2-methoxy-4-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propan-2-ol Formula: C22H38N2O3S+2 MolecularWeight: 410.61372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C[NH+]2CCSCC2)OCC(C[NH+]3CCCCCCC3)O

Isomeric SMILES

COC1=C(C=CC(=C1)C[NH+]2CCSCC2)OC[C@@H](C[NH+]3CCCCCCC3)O

InChI

InChI=1S/C22H36N2O3S/c1-26-22-15-19(16-24-11-13-28-14-12-24)7-8-21(22)27-18-20(25)17-23-9-5-3-2-4-6-10-23/h7-8,15,20,25H,2-6,9-14,16-18H2,1H3/p+2/t20-/m1/s1