6-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propoxy)ethoxy]ethyl]pyrrolidin-1-ium-1-yl]hexanoic acid

Systemtic Name: 6-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propoxy)ethoxy]ethyl]pyrrolidin-1-ium-1-yl]hexanoic acid Openeye Name: 6-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propoxy)ethoxy]ethyl]pyrrolidin-1-ium-1-yl]hexanoic acid CAS Name: 6-[1-[2-[2-[3-octadecoxy-2-(2-pyrimidinyloxy)propoxy]ethoxy]ethyl]-1-pyrrolidin-1-iumyl]hexanoic acid IUPAC Name: 6-[1-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropoxy)ethoxy]ethyl]pyrrolidin-1-ium-1-yl]hexanoic acid Traditional Name: 6-[1-[2-[2-[2-(2-pyrimidyloxy)-3-stearyloxy-propoxy]ethoxy]ethyl]pyrrolidin-1-ium-1-yl]hexanoic acid Formula: C39H72N3O6+ MolecularWeight: 679.00548

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+]1(CCCC1)CCCCCC(=O)O)OC2=NC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+]1(CCCC1)CCCCCC(=O)O)OC2=NC=CC=N2

InChI

InChI=1S/C39H71N3O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-22-31-46-35-37(48-39-40-25-23-26-41-39)36-47-34-33-45-32-30-42(28-20-21-29-42)27-19-17-18-24-38(43)44/h23,25-26,37H,2-22,24,27-36H2,1H3/p+1