3-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propoxy)ethoxy]ethyl]-1,3-thiazol-3-ium

Systemtic Name: 3-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propoxy)ethoxy]ethyl]-1,3-thiazol-3-ium Openeye Name: 3-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxy-propoxy)ethoxy]ethyl]thiazol-3-ium CAS Name: 3-[2-[2-[3-octadecoxy-2-(2-pyrimidinyloxy)propoxy]ethoxy]ethyl]thiazol-3-ium IUPAC Name: 3-[2-[2-(3-octadecoxy-2-pyrimidin-2-yloxypropoxy)ethoxy]ethyl]-1,3-thiazol-3-ium Traditional Name: 3-[2-[2-[2-(2-pyrimidyloxy)-3-stearyloxy-propoxy]ethoxy]ethyl]thiazol-3-ium Formula: C32H56N3O4S+ MolecularWeight: 578.86974

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+]1=CSC=C1)OC2=NC=CC=N2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COCCOCC[N+]1=CSC=C1)OC2=NC=CC=N2

InChI

InChI=1S/C32H56N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-23-37-28-31(39-32-33-19-18-20-34-32)29-38-26-25-36-24-21-35-22-27-40-30-35/h18-20,22,27,30-31H,2-17,21,23-26,28-29H2,1H3/q+1