[1-[(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy-oxidanyl-phosphoryl]oxy-3-hexadecoxy-propan-2-yl] ethanoate

Systemtic Name: [1-[(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy-oxidanyl-phosphoryl]oxy-3-hexadecoxy-propan-2-yl] ethanoate Openeye Name: [1-[[(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy-hydroxy-phosphoryl]oxymethyl]-2-hexadecoxy-ethyl] acetate CAS Name: acetic acid [1-[(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] ester IUPAC Name: [1-[(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy-hydroxyphosphoryl]oxy-3-hexadecoxypropan-2-yl] acetate Traditional Name: acetic acid [1-(cetyloxymethyl)-2-[(8,8-dimethyl-8-azoniabicyclo[3.2.1]octan-3-yl)oxy-hydroxy-phosphoryl]oxy-ethyl] ester Formula: C30H59NO7P+ MolecularWeight: 576.765721

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H58NO7P/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21-35-24-30(37-26(2)32)25-36-39(33,34)38-29-22-27-19-20-28(23-29)31(27,3)4/h27-30H,5-25H2,1-4H3/p+1