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

Systemtic Name: [2-methoxy-3-(3-tetradecylphenoxy)propyl] [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [2-methoxy-3-(3-tetradecylphenoxy)propyl] [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: [2-methoxy-3-(3-tetradecylphenoxy)propyl] [3-(1-quinolin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [2-methoxy-3-(3-tetradecylphenoxy)propyl] [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [2-methoxy-3-(3-myristylphenoxy)propyl] [3-(quinolin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C40H55NO6P+ MolecularWeight: 676.841561

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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=CC4=CC=CC=C43)OC

Isomeric SMILES

CCCCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC4=CC=CC=C43)OC

InChI

InChI=1S/C40H54NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-20-34-21-17-25-37(29-34)45-32-39(44-2)33-46-48(42,43)47-38-26-18-22-35(30-38)31-41-28-19-24-36-23-15-16-27-40(36)41/h15-19,21-30,39H,3-14,20,31-33H2,1-2H3/p+1