(2-acetyloxy-3-hexadecoxy-propyl) [1-(1-azoniabicyclo[2.2.1]heptan-3-yl)-1-phenyl-ethyl] phosphate

Systemtic Name: (2-acetyloxy-3-hexadecoxy-propyl) [1-(1-azoniabicyclo[2.2.1]heptan-3-yl)-1-phenyl-ethyl] phosphate Openeye Name: (2-acetoxy-3-hexadecoxy-propyl) [1-(1-azoniabicyclo[2.2.1]heptan-3-yl)-1-phenyl-ethyl] phosphate CAS Name: (2-acetyloxy-3-hexadecoxypropyl) [1-(1-azoniabicyclo[2.2.1]heptan-3-yl)-1-phenylethyl] phosphate IUPAC Name: (2-acetyloxy-3-hexadecoxypropyl) [1-(1-azoniabicyclo[2.2.1]heptan-3-yl)-1-phenylethyl] phosphate Traditional Name: (2-acetoxy-3-cetyloxy-propyl) [1-(1-azoniabicyclo[2.2.1]heptan-3-yl)-1-phenyl-ethyl] phosphate Formula: C35H60NO7P MolecularWeight: 637.827161

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC(C)(C1C[NH+]2CCC1C2)C3=CC=CC=C3)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC(C)(C1C[NH+]2CCC1C2)C3=CC=CC=C3)OC(=O)C

InChI

InChI=1S/C35H60NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-20-25-40-28-33(42-30(2)37)29-41-44(38,39)43-35(3,32-21-18-17-19-22-32)34-27-36-24-23-31(34)26-36/h17-19,21-22,31,33-34H,4-16,20,23-29H2,1-3H3,(H,38,39)