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

Systemtic Name: (3-hexadecoxy-2-oxidanyl-propyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) hydrogen phosphate Openeye Name: (3-hexadecoxy-2-hydroxy-propyl) (1-methylquinuclidin-1-ium-3-yl) hydrogen phosphate CAS Name: (3-hexadecoxy-2-hydroxypropyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-hydroxypropyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) hydrogen phosphate Traditional Name: (3-cetyloxy-2-hydroxy-propyl) (1-methylquinuclidin-1-ium-3-yl) hydrogen phosphate Formula: C27H55NO6P+ MolecularWeight: 520.702461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C[N+]2(CCC1CC2)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C[N+]2(CCC1CC2)C)O

InChI

InChI=1S/C27H54NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-32-23-26(29)24-33-35(30,31)34-27-22-28(2)19-17-25(27)18-20-28/h25-27,29H,3-24H2,1-2H3/p+1