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

Systemtic Name: (3-hexadecoxy-2-phenylmethoxy-propyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) hydrogen phosphate Openeye Name: (2-benzyloxy-3-hexadecoxy-propyl) (1-methylquinuclidin-1-ium-3-yl) hydrogen phosphate CAS Name: (3-hexadecoxy-2-phenylmethoxypropyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) hydrogen phosphate IUPAC Name: (3-hexadecoxy-2-phenylmethoxypropyl) (1-methyl-1-azoniabicyclo[2.2.2]octan-3-yl) hydrogen phosphate Traditional Name: (2-benzoxy-3-cetyloxy-propyl) (1-methylquinuclidin-1-ium-3-yl) hydrogen phosphate Formula: C34H61NO6P+ MolecularWeight: 610.825001

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C[N+]2(CCC1CC2)C)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1C[N+]2(CCC1CC2)C)OCC3=CC=CC=C3

InChI

InChI=1S/C34H60NO6P/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-19-26-38-29-33(39-28-31-20-17-16-18-21-31)30-40-42(36,37)41-34-27-35(2)24-22-32(34)23-25-35/h16-18,20-21,32-34H,3-15,19,22-30H2,1-2H3/p+1