2-[1-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinylethoxy]ethyl]-1,3-thiazol-3-ium chloride

Systemtic Name: 2-[1-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinylethoxy]ethyl]-1,3-thiazol-3-ium chloride Openeye Name: 2-[1-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinylethoxy]ethyl]thiazol-3-ium chloride CAS Name: 2-[1-[2-[3-octadecoxy-2-(2-pyrimidinyloxy)propyl]sulfinylethoxy]ethyl]thiazol-3-ium chloride IUPAC Name: 2-[1-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropyl)sulfinylethoxy]ethyl]-1,3-thiazol-3-ium chloride Traditional Name: 2-[1-[2-[2-(2-pyrimidyloxy)-3-stearyloxy-propyl]sulfinylethoxy]ethyl]thiazol-3-ium chloride Formula: C32H56ClN3O4S2 MolecularWeight: 646.38774

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS(=O)CCOC(C)C1=[NH+]C=CS1)OC2=NC=CC=N2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS(=O)CCOC(C)C1=[NH+]C=CS1)OC2=NC=CC=N2.[Cl-]

InChI

InChI=1S/C32H55N3O4S2.ClH/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-37-27-30(39-32-34-20-19-21-35-32)28-41(36)26-24-38-29(2)31-33-22-25-40-31;/h19-22,25,29-30H,3-18,23-24,26-28H2,1-2H3;1H