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

Systemtic Name: (2-acetyloxy-3-hexadecoxy-propyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)methyl phosphate Openeye Name: (2-acetoxy-3-hexadecoxy-propyl) (1-methylquinuclidin-1-ium-3-yl)methyl phosphate CAS Name: (2-acetyloxy-3-hexadecoxypropyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)methyl phosphate IUPAC Name: (2-acetyloxy-3-hexadecoxypropyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl)methyl phosphate Traditional Name: (2-acetoxy-3-cetyloxy-propyl) (1-methylquinuclidin-1-ium-3-yl)methyl phosphate Formula: C30H58NO7P MolecularWeight: 575.757781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC1C[N+]2(CCC1CC2)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OCC1C[N+]2(CCC1CC2)C)OC(=O)C

InChI

InChI=1S/C30H58NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-22-35-25-30(38-27(2)32)26-37-39(33,34)36-24-29-23-31(3)20-18-28(29)19-21-31/h28-30H,4-26H2,1-3H3