1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propoxy)ethoxy]ethyl]pyridin-1-ium-3-ol chloride

Systemtic Name: 1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propoxy)ethoxy]ethyl]pyridin-1-ium-3-ol chloride Openeye Name: 1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propoxy)ethoxy]ethyl]pyridin-1-ium-3-ol chloride CAS Name: 1-[2-[2-[3-octadecoxy-2-(2-pyrimidinyloxy)propoxy]ethoxy]ethyl]-3-pyridin-1-iumol chloride IUPAC Name: 1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropoxy)ethoxy]ethyl]pyridin-1-ium-3-ol chloride Traditional Name: 1-[2-[2-[2-(2-pyrimidyloxy)-3-stearyloxy-propoxy]ethoxy]ethyl]pyridin-1-ium-3-ol chloride Formula: C34H58ClN3O5 MolecularWeight: 624.29442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H57N3O5.ClH/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-25-40-30-33(42-34-35-21-19-22-36-34)31-41-28-27-39-26-24-37-23-18-20-32(38)29-37;/h18-23,29,33H,2-17,24-28,30-31H2,1H3;1H