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

Systemtic Name: (2-acetyloxy-3-hexadecoxy-propyl) 1-(1-azoniabicyclo[2.2.1]heptan-3-yl)ethyl phosphate Openeye Name: (2-acetoxy-3-hexadecoxy-propyl) 1-(1-azoniabicyclo[2.2.1]heptan-3-yl)ethyl phosphate CAS Name: (2-acetyloxy-3-hexadecoxypropyl) 1-(1-azoniabicyclo[2.2.1]heptan-3-yl)ethyl phosphate IUPAC Name: (2-acetyloxy-3-hexadecoxypropyl) 1-(1-azoniabicyclo[2.2.1]heptan-3-yl)ethyl phosphate Traditional Name: (2-acetoxy-3-cetyloxy-propyl) 1-(1-azoniabicyclo[2.2.1]heptan-3-yl)ethyl phosphate Formula: C29H56NO7P MolecularWeight: 561.731201

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H56NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-34-23-28(36-26(3)31)24-35-38(32,33)37-25(2)29-22-30-19-18-27(29)21-30/h25,27-29H,4-24H2,1-3H3,(H,32,33)