(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (3-hexadecoxy-2-oxidanyl-propyl) hydrogen phosphate

Systemtic Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (3-hexadecoxy-2-oxidanyl-propyl) hydrogen phosphate Openeye Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (3-hexadecoxy-2-hydroxy-propyl) hydrogen phosphate CAS Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (3-hexadecoxy-2-hydroxypropyl) hydrogen phosphate IUPAC Name: (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) (3-hexadecoxy-2-hydroxypropyl) hydrogen phosphate Traditional Name: (3-cetyloxy-2-hydroxy-propyl) (8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl) hydrogen phosphate Formula: C28H57NO6P+ MolecularWeight: 534.729041

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1CC2CCC(C1)[N+]2(C)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(COP(=O)(O)OC1CC2CCC(C1)[N+]2(C)C)O

InChI

InChI=1S/C28H56NO6P/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-20-33-23-27(30)24-34-36(31,32)35-28-21-25-18-19-26(22-28)29(25,2)3/h25-28,30H,4-24H2,1-3H3/p+1