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

Systemtic Name: 1-(1-azabicyclo[2.2.2]octan-3-yl)ethyl (3-hexadecoxy-2-phenylmethoxy-propyl) hydrogen phosphate Openeye Name: (2-benzyloxy-3-hexadecoxy-propyl) 1-quinuclidin-3-ylethyl hydrogen phosphate CAS Name: 1-(1-azabicyclo[2.2.2]octan-3-yl)ethyl (3-hexadecoxy-2-phenylmethoxypropyl) hydrogen phosphate IUPAC Name: 1-(1-azabicyclo[2.2.2]octan-3-yl)ethyl (3-hexadecoxy-2-phenylmethoxypropyl) hydrogen phosphate Traditional Name: (2-benzoxy-3-cetyloxy-propyl) 1-quinuclidin-3-ylethyl hydrogen phosphate Formula: C35H62NO6P MolecularWeight: 623.843641

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC(C)C1CN2CCC1CC2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC(C)C1CN2CCC1CC2)OCC3=CC=CC=C3

InChI

InChI=1S/C35H62NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-39-29-34(40-28-32-20-17-16-18-21-32)30-41-43(37,38)42-31(2)35-27-36-24-22-33(35)23-25-36/h16-18,20-21,31,33-35H,3-15,19,22-30H2,1-2H3,(H,37,38)