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

Systemtic Name: [2-ethoxy-3-(2-pentadecylphenoxy)propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [2-ethoxy-3-(2-pentadecylphenoxy)propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [2-ethoxy-3-(2-pentadecylphenoxy)propyl] [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [2-ethoxy-3-(2-pentadecylphenoxy)propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [2-ethoxy-3-(2-pentadecylphenoxy)propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C36H55NO6PS+ MolecularWeight: 660.863761

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC1=CC=CC=C1OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3)OCC

Isomeric SMILES

CCCCCCCCCCCCCCCC1=CC=CC=C1OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3)OCC

InChI

InChI=1S/C36H54NO6PS/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-21-33-22-17-18-24-36(33)41-29-35(40-4-2)30-42-44(38,39)43-34-23-19-20-32(27-34)28-37-25-26-45-31-37/h17-20,22-27,31,35H,3-16,21,28-30H2,1-2H3/p+1