[1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1-phenyl-ethyl] (3-hexadecoxy-2-phenylmethoxy-propyl) phosphate

Systemtic Name: [1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1-phenyl-ethyl] (3-hexadecoxy-2-phenylmethoxy-propyl) phosphate Openeye Name: (2-benzyloxy-3-hexadecoxy-propyl) (1-phenyl-1-quinuclidin-1-ium-3-yl-ethyl) phosphate CAS Name: [1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1-phenylethyl] (3-hexadecoxy-2-phenylmethoxypropyl) phosphate IUPAC Name: [1-(1-azoniabicyclo[2.2.2]octan-3-yl)-1-phenylethyl] (3-hexadecoxy-2-phenylmethoxypropyl) phosphate Traditional Name: (2-benzoxy-3-cetyloxy-propyl) (1-phenyl-1-quinuclidin-1-ium-3-yl-ethyl) phosphate Formula: C41H66NO6P MolecularWeight: 699.939601

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC(C)(C1C[NH+]2CCC1CC2)C3=CC=CC=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC(C)(C1C[NH+]2CCC1CC2)C3=CC=CC=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C41H66NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-22-31-45-34-39(46-33-36-23-18-16-19-24-36)35-47-49(43,44)48-41(2,38-25-20-17-21-26-38)40-32-42-29-27-37(40)28-30-42/h16-21,23-26,37,39-40H,3-15,22,27-35H2,1-2H3,(H,43,44)