2-[4-[1-(2-ethoxyethyl)pyridin-1-ium-2-yl]sulfinyl-1-octadecoxy-butan-2-yl]oxypyrimidine chloride

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H60N3O4S.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-29-41-32-33(42-35-36-25-22-26-37-35)24-31-43(39)34-23-19-20-27-38(34)28-30-40-4-2;/h19-20,22-23,25-27,33H,3-18,21,24,28-32H2,1-2H3;1H/q+1;/p-1