(2-acetyloxy-3-hexadecoxy-propyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-4-yl) phosphate

Systemtic Name: (2-acetyloxy-3-hexadecoxy-propyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-4-yl) phosphate Openeye Name: (2-acetoxy-3-hexadecoxy-propyl) (1-methylquinuclidin-1-ium-4-yl) phosphate CAS Name: (2-acetyloxy-3-hexadecoxypropyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-4-yl) phosphate IUPAC Name: (2-acetyloxy-3-hexadecoxypropyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-4-yl) phosphate Traditional Name: (2-acetoxy-3-cetyloxy-propyl) (1-methylquinuclidin-1-ium-4-yl) phosphate Formula: C29H56NO7P MolecularWeight: 561.731201

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC12CC[N+](CC1)(CC2)C)OC(=O)C

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)([O-])OC12CC[N+](CC1)(CC2)C)OC(=O)C

InChI

InChI=1S/C29H56NO7P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-34-25-28(36-27(2)31)26-35-38(32,33)37-29-18-21-30(3,22-19-29)23-20-29/h28H,4-26H2,1-3H3