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

Systemtic Name: [2-methoxy-3-(2-pentadecylphenoxy)propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [2-methoxy-3-(2-pentadecylphenoxy)propyl] [3-(thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate CAS Name: [2-methoxy-3-(2-pentadecylphenoxy)propyl] [3-(3-thiazol-3-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [2-methoxy-3-(2-pentadecylphenoxy)propyl] [3-(1,3-thiazol-3-ium-3-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [2-methoxy-3-(2-pentadecylphenoxy)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:

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

Isomeric SMILES

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

InChI

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