1-(2-ethoxyethyl)-2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinyl-quinolin-1-ium chloride

Systemtic Name: 1-(2-ethoxyethyl)-2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinyl-quinolin-1-ium chloride Openeye Name: 1-(2-ethoxyethyl)-2-(3-octadecoxy-2-pyrimidin-2-yloxy-propyl)sulfinyl-quinolin-1-ium chloride CAS Name: 1-(2-ethoxyethyl)-2-[3-octadecoxy-2-(2-pyrimidinyloxy)propyl]sulfinylquinolin-1-ium chloride IUPAC Name: 1-(2-ethoxyethyl)-2-(3-octadecoxy-2-pyrimidin-2-yloxypropyl)sulfinylquinolin-1-ium chloride Traditional Name: 1-(2-ethoxyethyl)-2-[2-(2-pyrimidyloxy)-3-stearyloxy-propyl]sulfinyl-quinolin-1-ium chloride Formula: C38H60ClN3O4S MolecularWeight: 690.4187

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(CS(=O)C1=[N+](C2=CC=CC=C2C=C1)CCOCC)OC3=NC=CC=N3.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(CS(=O)C1=[N+](C2=CC=CC=C2C=C1)CCOCC)OC3=NC=CC=N3.[Cl-]

InChI

InChI=1S/C38H60N3O4S.ClH/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-30-44-32-35(45-38-39-27-22-28-40-38)33-46(42)37-26-25-34-23-19-20-24-36(34)41(37)29-31-43-4-2;/h19-20,22-28,35H,3-18,21,29-33H2,1-2H3;1H/q+1;/p-1