2-[1-octadecoxy-3-[1-(5-pentoxypentyl)pyridin-1-ium-2-yl]sulfonyl-propan-2-yl]oxypyrimidine chloride

Systemtic Name: 2-[1-octadecoxy-3-[1-(5-pentoxypentyl)pyridin-1-ium-2-yl]sulfonyl-propan-2-yl]oxypyrimidine chloride Openeye Name: 2-[1-(octadecoxymethyl)-2-[1-(5-pentoxypentyl)pyridin-1-ium-2-yl]sulfonyl-ethoxy]pyrimidine chloride CAS Name: 2-[1-octadecoxy-3-[[1-(5-pentoxypentyl)-2-pyridin-1-iumyl]sulfonyl]propan-2-yl]oxypyrimidine chloride IUPAC Name: 2-[1-octadecoxy-3-[1-(5-pentoxypentyl)pyridin-1-ium-2-yl]sulfonylpropan-2-yl]oxypyrimidine chloride Traditional Name: 2-[1-[[1-(5-amoxypentyl)pyridin-1-ium-2-yl]sulfonylmethyl]-2-stearyloxy-ethoxy]pyrimidine chloride Formula: C40H70ClN3O5S MolecularWeight: 740.5189

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C40H70N3O5S.ClH/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-19-25-35-47-36-38(48-40-41-29-27-30-42-40)37-49(44,45)39-28-21-23-32-43(39)31-22-20-26-34-46-33-24-6-4-2;/h21,23,27-30,32,38H,3-20,22,24-26,31,33-37H2,1-2H3;1H/q+1;/p-1