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

Systemtic Name: (2-acetyloxy-3-hexadecoxy-propyl) (3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-5-yl) phosphate Openeye Name: (2-acetoxy-3-hexadecoxy-propyl) (3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-5-yl) phosphate CAS Name: (2-acetyloxy-3-hexadecoxypropyl) (3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-5-yl) phosphate IUPAC Name: (2-acetyloxy-3-hexadecoxypropyl) (3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-5-yl) phosphate Traditional Name: (2-acetoxy-3-cetyloxy-propyl) (3-ethyl-3-methyl-3-azoniabicyclo[2.2.1]heptan-5-yl) phosphate Formula: C30H58NO7P MolecularWeight: 575.757781

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H58NO7P/c1-5-7-8-9-10-11-12-13-14-15-16-17-18-19-20-35-24-28(37-26(3)32)25-36-39(33,34)38-30-22-27-21-29(30)31(4,6-2)23-27/h27-30H,5-25H2,1-4H3