2-[4-methyl-3-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinylethoxy]ethyl]-1,3-thiazol-3-ium-5-yl]ethanol

Systemtic Name: 2-[4-methyl-3-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinylethoxy]ethyl]-1,3-thiazol-3-ium-5-yl]ethanol Openeye Name: 2-[4-methyl-3-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinylethoxy]ethyl]thiazol-3-ium-5-yl]ethanol CAS Name: 2-[4-methyl-3-[2-[2-[3-octadecoxy-2-(2-pyrimidinyloxy)propyl]sulfinylethoxy]ethyl]-5-thiazol-3-iumyl]ethanol IUPAC Name: 2-[4-methyl-3-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropyl)sulfinylethoxy]ethyl]-1,3-thiazol-3-ium-5-yl]ethanol Traditional Name: 2-[4-methyl-3-[2-[2-[2-(2-pyrimidyloxy)-3-stearyloxy-propyl]sulfinylethoxy]ethyl]thiazol-3-ium-5-yl]ethanol Formula: C35H62N3O5S2+ MolecularWeight: 669.01388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H62N3O5S2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-25-42-29-33(43-35-36-21-19-22-37-35)30-45(40)28-27-41-26-23-38-31-44-34(20-24-39)32(38)2/h19,21-22,31,33,39H,3-18,20,23-30H2,1-2H3/q+1