6-[dimethyl-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propoxy)ethoxy]ethyl]azaniumyl]hexanoate

Systemtic Name: 6-[dimethyl-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propoxy)ethoxy]ethyl]azaniumyl]hexanoate Openeye Name: 6-[dimethyl-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propoxy)ethoxy]ethyl]ammonio]hexanoate CAS Name: 6-[dimethyl-[2-[2-[3-octadecoxy-2-(2-pyrimidinyloxy)propoxy]ethoxy]ethyl]ammonio]hexanoate IUPAC Name: 6-[dimethyl-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropoxy)ethoxy]ethyl]azaniumyl]hexanoate Traditional Name: 6-[dimethyl-[2-[2-[2-(2-pyrimidyloxy)-3-stearyloxy-propoxy]ethoxy]ethyl]ammonio]hexanoate Formula: C37H69N3O6 MolecularWeight: 651.96026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+](C)(C)CCCCCC(=O)[O-])OC1=NC=CC=N1

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+](C)(C)CCCCCC(=O)[O-])OC1=NC=CC=N1

InChI

InChI=1S/C37H69N3O6/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-29-44-33-35(46-37-38-25-23-26-39-37)34-45-32-31-43-30-28-40(2,3)27-21-19-20-24-36(41)42/h23,25-26,35H,4-22,24,27-34H2,1-3H3