(2-methoxy-3-octadecoxy-propyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: (2-methoxy-3-octadecoxy-propyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: (2-methoxy-3-octadecoxy-propyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: (2-methoxy-3-octadecoxypropyl) [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: (2-methoxy-3-octadecoxypropyl) [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: (2-methoxy-3-stearyloxy-propyl) [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C32H55NO6PS+ MolecularWeight: 612.820961

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+]2=CSC=C2)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1=CC=CC(=C1)C[N+]2=CSC=C2)OC

InChI

InChI=1S/C32H54NO6PS/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-37-27-32(36-2)28-38-40(34,35)39-31-21-19-20-30(25-31)26-33-22-24-41-29-33/h19-22,24-25,29,32H,3-18,23,26-28H2,1-2H3/p+1