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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-23-35-26(2)30(37-27(3)32)25-36-39(33,34)38-29-24-31(4)21-19-28(29)20-22-31/h26,28-30H,5-25H2,1-4H3