(2-octadecoxy-2-phenylmethoxy-propyl) 2-pyridin-1-ium-1-ylethyl hydrogen phosphate

Systemtic Name: (2-octadecoxy-2-phenylmethoxy-propyl) 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Openeye Name: (2-benzyloxy-2-octadecoxy-propyl) 2-pyridin-1-ium-1-ylethyl hydrogen phosphate CAS Name: (2-octadecoxy-2-phenylmethoxypropyl) 2-(1-pyridin-1-iumyl)ethyl hydrogen phosphate IUPAC Name: (2-octadecoxy-2-phenylmethoxypropyl) 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Traditional Name: (2-benzoxy-2-stearyloxy-propyl) 2-pyridin-1-ium-1-ylethyl hydrogen phosphate Formula: C35H59NO6P+ MolecularWeight: 620.819821

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(C)(COP(=O)(O)OCC[N+]1=CC=CC=C1)OCC2=CC=CC=C2

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC(C)(COP(=O)(O)OCC[N+]1=CC=CC=C1)OCC2=CC=CC=C2

InChI

InChI=1S/C35H58NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-30-39-35(2,40-32-34-25-20-18-21-26-34)33-42-43(37,38)41-31-29-36-27-22-19-23-28-36/h18-23,25-28H,3-17,24,29-33H2,1-2H3/p+1