2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfonyl-3-(5-pentoxypentyl)-1,3-thiazol-3-ium chloride

Systemtic Name: 2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfonyl-3-(5-pentoxypentyl)-1,3-thiazol-3-ium chloride Openeye Name: 2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfonyl-3-(5-pentoxypentyl)thiazol-3-ium chloride CAS Name: 2-[3-octadecoxy-2-(2-pyrimidinyloxy)propyl]sulfonyl-3-(5-pentoxypentyl)thiazol-3-ium chloride IUPAC Name: 2-(3-octadecoxy-2-pyrimidin-2-yloxypropyl)sulfonyl-3-(5-pentoxypentyl)-1,3-thiazol-3-ium chloride Traditional Name: 3-(5-amoxypentyl)-2-[2-(2-pyrimidyloxy)-3-stearyloxy-propyl]sulfonyl-thiazol-3-ium chloride Formula: C38H68ClN3O5S2 MolecularWeight: 746.54662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H68N3O5S2.ClH/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-23-32-45-34-36(46-37-39-26-25-27-40-37)35-48(42,43)38-41(29-33-47-38)28-21-20-24-31-44-30-22-6-4-2;/h25-27,29,33,36H,3-24,28,30-32,34-35H2,1-2H3;1H/q+1;/p-1