(2-acetyloxy-3-hexadecoxy-propyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate

Systemtic Name: (2-acetyloxy-3-hexadecoxy-propyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate Openeye Name: (2-acetoxy-3-hexadecoxy-propyl) (1-methylquinuclidin-1-ium-3-yl) phosphate CAS Name: (2-acetyloxy-3-hexadecoxypropyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate IUPAC Name: (2-acetyloxy-3-hexadecoxypropyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) phosphate Traditional Name: (2-acetoxy-3-cetyloxy-propyl) (1-methylquinuclidin-1-ium-3-yl) phosphate Formula: C29H56NO7P MolecularWeight: 561.731201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1C[N+]2(CCC1CC2)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1C[N+]2(CCC1CC2)C)OC(=O)C

InChI

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