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

Systemtic Name: 2-[1-[1-(2-ethoxyethyl)-2-ethylsulfanyl-pyridin-1-ium-3-yl]sulfanyl-3-octadecoxy-propan-2-yl]oxypyrimidine chloride Openeye Name: 2-[1-[[1-(2-ethoxyethyl)-2-ethylsulfanyl-pyridin-1-ium-3-yl]sulfanylmethyl]-2-octadecoxy-ethoxy]pyrimidine chloride CAS Name: 2-[1-[[1-(2-ethoxyethyl)-2-(ethylthio)-3-pyridin-1-iumyl]thio]-3-octadecoxypropan-2-yl]oxypyrimidine chloride IUPAC Name: 2-[1-[1-(2-ethoxyethyl)-2-ethylsulfanylpyridin-1-ium-3-yl]sulfanyl-3-octadecoxypropan-2-yl]oxypyrimidine chloride Traditional Name: 2-[1-[[[1-(2-ethoxyethyl)-2-(ethylthio)pyridin-1-ium-3-yl]thio]methyl]-2-stearyloxy-ethoxy]pyrimidine chloride Formula: C36H62ClN3O3S2 MolecularWeight: 684.47878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CSC1=C([N+](=CC=C1)CCOCC)SCC)OC2=NC=CC=N2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CSC1=C([N+](=CC=C1)CCOCC)SCC)OC2=NC=CC=N2.[Cl-]

InChI

InChI=1S/C36H62N3O3S2.ClH/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-41-31-33(42-36-37-25-23-26-38-36)32-44-34-24-22-27-39(28-30-40-5-2)35(34)43-6-3;/h22-27,33H,4-21,28-32H2,1-3H3;1H/q+1;/p-1