(3-octadecoxy-2-oxidanyl-propyl) 3-pyridin-1-ium-1-ylpropyl phosphate

Systemtic Name: (3-octadecoxy-2-oxidanyl-propyl) 3-pyridin-1-ium-1-ylpropyl phosphate Openeye Name: (2-hydroxy-3-octadecoxy-propyl) 3-pyridin-1-ium-1-ylpropyl phosphate CAS Name: (2-hydroxy-3-octadecoxypropyl) 3-(1-pyridin-1-iumyl)propyl phosphate IUPAC Name: (2-hydroxy-3-octadecoxypropyl) 3-pyridin-1-ium-1-ylpropyl phosphate Traditional Name: (2-hydroxy-3-stearyloxy-propyl) 3-pyridin-1-ium-1-ylpropyl phosphate Formula: C29H54NO6P MolecularWeight: 543.715921

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCC[N+]1=CC=CC=C1)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCCC[N+]1=CC=CC=C1)O

InChI

InChI=1S/C29H54NO6P/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-34-27-29(31)28-36-37(32,33)35-26-21-24-30-22-18-17-19-23-30/h17-19,22-23,29,31H,2-16,20-21,24-28H2,1H3