(2-acetyloxy-3-hexadecoxy-propyl) (3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-5-yl) phosphate

Systemtic Name: (2-acetyloxy-3-hexadecoxy-propyl) (3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-5-yl) phosphate Openeye Name: (2-acetoxy-3-hexadecoxy-propyl) (3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-5-yl) phosphate CAS Name: (2-acetyloxy-3-hexadecoxypropyl) (3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-5-yl) phosphate IUPAC Name: (2-acetyloxy-3-hexadecoxypropyl) (3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-5-yl) phosphate Traditional Name: (2-acetoxy-3-cetyloxy-propyl) (3,3-dimethyl-3-azoniabicyclo[2.2.1]heptan-5-yl) phosphate Formula: C29H56NO7P MolecularWeight: 561.731201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1CC2CC1[N+](C2)(C)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC1CC2CC1[N+](C2)(C)C)OC(=O)C

InChI

InChI=1S/C29H56NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-34-23-27(36-25(2)31)24-35-38(32,33)37-29-21-26-20-28(29)30(3,4)22-26/h26-29H,5-24H2,1-4H3