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

Systemtic Name: [3-(3-dodecylphenoxy)-2-methoxy-propyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Openeye Name: [3-(3-dodecylphenoxy)-2-methoxy-propyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate CAS Name: [3-(3-dodecylphenoxy)-2-methoxypropyl] [3-(1-pyridin-1-iumylmethyl)phenyl] hydrogen phosphate IUPAC Name: [3-(3-dodecylphenoxy)-2-methoxypropyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Traditional Name: [3-(3-laurylphenoxy)-2-methoxy-propyl] [3-(pyridin-1-ium-1-ylmethyl)phenyl] hydrogen phosphate Formula: C34H49NO6P+ MolecularWeight: 598.729721

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3)OC

Isomeric SMILES

CCCCCCCCCCCCC1=CC(=CC=C1)OCC(COP(=O)(O)OC2=CC=CC(=C2)C[N+]3=CC=CC=C3)OC

InChI

InChI=1S/C34H48NO6P/c1-3-4-5-6-7-8-9-10-11-13-18-30-19-16-21-32(25-30)39-28-34(38-2)29-40-42(36,37)41-33-22-17-20-31(26-33)27-35-23-14-12-15-24-35/h12,14-17,19-26,34H,3-11,13,18,27-29H2,1-2H3/p+1