(2R)-1-(azocan-1-ium-1-yl)-3-[5-methoxy-2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propan-2-ol

Systemtic Name: (2R)-1-(azocan-1-ium-1-yl)-3-[5-methoxy-2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propan-2-ol Openeye Name: (2R)-1-(azocan-1-ium-1-yl)-3-[5-methoxy-2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propan-2-ol CAS Name: (2R)-1-(1-azocan-1-iumyl)-3-[5-methoxy-2-(4-thiomorpholin-4-iumylmethyl)phenoxy]-2-propanol IUPAC Name: (2R)-1-(azocan-1-ium-1-yl)-3-[5-methoxy-2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propan-2-ol Traditional Name: (2R)-1-(azocan-1-ium-1-yl)-3-[5-methoxy-2-(thiomorpholin-4-ium-4-ylmethyl)phenoxy]propan-2-ol Formula: C22H38N2O3S+2 MolecularWeight: 410.61372

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H36N2O3S/c1-26-21-8-7-19(16-24-11-13-28-14-12-24)22(15-21)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