[2-methoxy-3-(3-tetradecylphenoxy)propyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate

Systemtic Name: [2-methoxy-3-(3-tetradecylphenoxy)propyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [2-methoxy-3-(3-tetradecylphenoxy)propyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: [2-methoxy-3-(3-tetradecylphenoxy)propyl] [3-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [2-methoxy-3-(3-tetradecylphenoxy)propyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [2-methoxy-3-(3-myristylphenoxy)propyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C36H53NO6P+ MolecularWeight: 626.782881

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H52NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-15-20-32-21-18-23-34(27-32)41-30-36(40-2)31-42-44(38,39)43-35-24-19-22-33(28-35)29-37-25-16-14-17-26-37/h14,16-19,21-28,36H,3-13,15,20,29-31H2,1-2H3/p+1