2-[1-[1-ethoxy-2-(3-octadecoxy-1H-imidazol-3-ium-2-yl)ethoxy]propan-2-yloxy]pyrimidine chloride

Systemtic Name: 2-[1-[1-ethoxy-2-(3-octadecoxy-1H-imidazol-3-ium-2-yl)ethoxy]propan-2-yloxy]pyrimidine chloride Openeye Name: 2-[2-[1-ethoxy-2-(3-octadecoxy-1H-imidazol-3-ium-2-yl)ethoxy]-1-methyl-ethoxy]pyrimidine chloride CAS Name: 2-[1-[1-ethoxy-2-(3-octadecoxy-1H-imidazol-3-ium-2-yl)ethoxy]propan-2-yloxy]pyrimidine chloride IUPAC Name: 2-[1-[1-ethoxy-2-(3-octadecoxy-1H-imidazol-3-ium-2-yl)ethoxy]propan-2-yloxy]pyrimidine chloride Traditional Name: 2-[2-[1-ethoxy-2-(3-stearyloxy-1H-imidazol-3-ium-2-yl)ethoxy]-1-methyl-ethoxy]pyrimidine chloride Formula: C32H57ClN4O4 MolecularWeight: 597.27238

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCO[N+]1=C(NC=C1)CC(OCC)OCC(C)OC2=NC=CC=N2.[Cl-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCO[N+]1=C(NC=C1)CC(OCC)OCC(C)OC2=NC=CC=N2.[Cl-]

InChI

InChI=1S/C32H56N4O4.ClH/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-26-39-36-25-24-33-30(36)27-31(37-5-2)38-28-29(3)40-32-34-22-21-23-35-32;/h21-25,29,31H,4-20,26-28H2,1-3H3;1H