3-(2-ethoxyethyl)-2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinyl-1,3-thiazol-3-ium chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H56N3O4S2.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25-38-28-30(39-31-33-21-20-22-34-31)29-41(36)32-35(24-27-40-32)23-26-37-4-2;/h20-22,24,27,30H,3-19,23,25-26,28-29H2,1-2H3;1H/q+1;/p-1