3-[4-methyl-3-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinylethoxy]ethyl]-2H-1,3-thiazol-3-ium-3-yl]propan-1-ol

Systemtic Name: 3-[4-methyl-3-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinylethoxy]ethyl]-2H-1,3-thiazol-3-ium-3-yl]propan-1-ol Openeye Name: 3-[4-methyl-3-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinylethoxy]ethyl]-2H-thiazol-3-ium-3-yl]propan-1-ol CAS Name: 3-[4-methyl-3-[2-[2-[3-octadecoxy-2-(2-pyrimidinyloxy)propyl]sulfinylethoxy]ethyl]-2H-thiazol-3-ium-3-yl]-1-propanol IUPAC Name: 3-[4-methyl-3-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropyl)sulfinylethoxy]ethyl]-2H-1,3-thiazol-3-ium-3-yl]propan-1-ol Traditional Name: 3-[4-methyl-3-[2-[2-[2-(2-pyrimidyloxy)-3-stearyloxy-propyl]sulfinylethoxy]ethyl]-4-thiazolin-3-ium-3-yl]propan-1-ol Formula: C36H66N3O5S2+ MolecularWeight: 685.05634

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS(=O)CCOCC[N+]1(CSC=C1C)CCCO)OC2=NC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS(=O)CCOCC[N+]1(CSC=C1C)CCCO)OC2=NC=CC=N2

InChI

InChI=1S/C36H66N3O5S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-26-43-30-35(44-36-37-21-19-22-38-36)32-46(41)29-28-42-27-24-39(23-20-25-40)33-45-31-34(39)2/h19,21-22,31,35,40H,3-18,20,23-30,32-33H2,1-2H3/q+1