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

Systemtic Name: 2-[1-[1-(2-ethoxyethyl)pyridin-1-ium-2-yl]sulfonyl-3-octadecoxy-propan-2-yl]oxypyrimidine chloride Openeye Name: 2-[1-[[1-(2-ethoxyethyl)pyridin-1-ium-2-yl]sulfonylmethyl]-2-octadecoxy-ethoxy]pyrimidine chloride CAS Name: 2-[1-[[1-(2-ethoxyethyl)-2-pyridin-1-iumyl]sulfonyl]-3-octadecoxypropan-2-yl]oxypyrimidine chloride IUPAC Name: 2-[1-[1-(2-ethoxyethyl)pyridin-1-ium-2-yl]sulfonyl-3-octadecoxypropan-2-yl]oxypyrimidine chloride Traditional Name: 2-[1-[[1-(2-ethoxyethyl)pyridin-1-ium-2-yl]sulfonylmethyl]-2-stearyloxy-ethoxy]pyrimidine chloride Formula: C34H58ClN3O5S MolecularWeight: 656.35942

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H58N3O5S.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-28-41-30-32(42-34-35-24-22-25-36-34)31-43(38,39)33-23-19-20-26-37(33)27-29-40-4-2;/h19-20,22-26,32H,3-18,21,27-31H2,1-2H3;1H/q+1;/p-1