[2-ethoxy-3-(4-tetradecylphenoxy)propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: [2-ethoxy-3-(4-tetradecylphenoxy)propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [2-ethoxy-3-(4-tetradecylphenoxy)propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [2-ethoxy-3-(4-tetradecylphenoxy)propyl] [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [2-ethoxy-3-(4-tetradecylphenoxy)propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [2-ethoxy-3-(4-myristylphenoxy)propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Formula: C35H53NO6PS+ MolecularWeight: 646.837181

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC1=CC=C(C=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3)OCC

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC=C(C=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CSC=C3)OCC

InChI

InChI=1S/C35H52NO6PS/c1-3-5-6-7-8-9-10-11-12-13-14-15-17-31-20-22-33(23-21-31)40-28-35(39-4-2)29-41-43(37,38)42-34-19-16-18-32(26-34)27-36-24-25-44-30-36/h16,18-26,30,35H,3-15,17,27-29H2,1-2H3/p+1