2-[1-octadecoxy-3-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]propan-2-yl]oxypyrimidine chloride

Systemtic Name: 2-[1-octadecoxy-3-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]propan-2-yl]oxypyrimidine chloride Openeye Name: 2-[1-(octadecoxymethyl)-2-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]ethoxy]pyrimidine chloride CAS Name: 2-[1-octadecoxy-3-[2-[2-(1-pyridin-1-iumyl)ethoxy]ethylsulfinyl]propan-2-yl]oxypyrimidine chloride IUPAC Name: 2-[1-octadecoxy-3-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinyl]propan-2-yl]oxypyrimidine chloride Traditional Name: 2-[1-[2-(2-pyridin-1-ium-1-ylethoxy)ethylsulfinylmethyl]-2-stearyloxy-ethoxy]pyrimidine chloride Formula: C34H58ClN3O4S MolecularWeight: 640.36002

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H58N3O4S.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-27-40-31-33(41-34-35-22-21-23-36-34)32-42(38)30-29-39-28-26-37-24-18-17-19-25-37;/h17-19,21-25,33H,2-16,20,26-32H2,1H3;1H/q+1;/p-1