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

Systemtic Name: 2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfonyl-3-(5-pentoxypentyl)-1,3-thiazol-3-ium Openeye Name: 2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfonyl-3-(5-pentoxypentyl)thiazol-3-ium CAS Name: 2-[3-octadecoxy-2-(2-pyrimidinyloxy)propyl]sulfonyl-3-(5-pentoxypentyl)thiazol-3-ium IUPAC Name: 2-(3-octadecoxy-2-pyrimidin-2-yloxypropyl)sulfonyl-3-(5-pentoxypentyl)-1,3-thiazol-3-ium Traditional Name: 3-(5-amoxypentyl)-2-[2-(2-pyrimidyloxy)-3-stearyloxy-propyl]sulfonyl-thiazol-3-ium Formula: C38H68N3O5S2+ MolecularWeight: 711.09362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C38H68N3O5S2/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/q+1