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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC1C[N+]2(CCC1C2)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC1C[N+]2(CCC1C2)C)OC(=O)C

InChI

InChI=1S/C29H56NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-34-24-29(37-26(2)31)25-36-38(32,33)35-23-28-22-30(3)19-18-27(28)21-30/h27-29H,4-25H2,1-3H3