2-[1-octadecoxy-4-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]butan-2-yl]oxypyrimidine chloride

Systemtic Name: 2-[1-octadecoxy-4-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]butan-2-yl]oxypyrimidine chloride Openeye Name: 2-[1-(octadecoxymethyl)-3-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]propoxy]pyrimidine chloride CAS Name: 2-[1-octadecoxy-4-[2-[2-(1-pyridin-1-iumyl)ethoxy]ethylsulfinyl]butan-2-yl]oxypyrimidine chloride IUPAC Name: 2-[1-octadecoxy-4-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]butan-2-yl]oxypyrimidine chloride Traditional Name: 2-[3-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]-1-(stearyloxymethyl)propoxy]pyrimidine chloride Formula: C35H60ClN3O4S MolecularWeight: 654.3866

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CCS(=O)CCOCC[N+]1=CC=CC=C1)OC2=NC=CC=N2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CCS(=O)CCOCC[N+]1=CC=CC=C1)OC2=NC=CC=N2.[Cl-]

InChI

InChI=1S/C35H60N3O4S.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-28-41-33-34(42-35-36-23-21-24-37-35)22-31-43(39)32-30-40-29-27-38-25-18-17-19-26-38;/h17-19,21,23-26,34H,2-16,20,22,27-33H2,1H3;1H/q+1;/p-1