hexadecyl (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) hydrogen phosphate

Systemtic Name: hexadecyl (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) hydrogen phosphate Openeye Name: hexadecyl (1-methylquinuclidin-1-ium-3-yl) hydrogen phosphate CAS Name: hexadecyl (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) hydrogen phosphate IUPAC Name: hexadecyl (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) hydrogen phosphate Traditional Name: cetyl (1-methylquinuclidin-1-ium-3-yl) hydrogen phosphate Formula: C24H49NO4P+ MolecularWeight: 446.623921

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H48NO4P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-28-30(26,27)29-24-22-25(2)19-17-23(24)18-20-25/h23-24H,3-22H2,1-2H3/p+1