[5-[(2S)-2-acetyloxy-3-octadecoxy-propoxy]-5-oxidanylidene-pentyl]-trimethyl-azanium iodide

Systemtic Name: [5-[(2S)-2-acetyloxy-3-octadecoxy-propoxy]-5-oxidanylidene-pentyl]-trimethyl-azanium iodide Openeye Name: [5-[(2S)-2-acetoxy-3-octadecoxy-propoxy]-5-oxo-pentyl]-trimethyl-ammonium iodide CAS Name: [5-[(2S)-2-acetyloxy-3-octadecoxypropoxy]-5-oxopentyl]-trimethylammonium iodide IUPAC Name: [5-[(2S)-2-acetyloxy-3-octadecoxypropoxy]-5-oxopentyl]-trimethylazanium iodide Traditional Name: [5-[(2S)-2-acetoxy-3-stearyloxy-propoxy]-5-keto-pentyl]-trimethyl-ammonium iodide Formula: C31H62INO5 MolecularWeight: 655.73215

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOCC(COC(=O)CCCC[N+](C)(C)C)OC(=O)C.[I-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC[C@@H](COC(=O)CCCC[N+](C)(C)C)OC(=O)C.[I-]

InChI

InChI=1S/C31H62NO5.HI/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-23-26-35-27-30(37-29(2)33)28-36-31(34)24-21-22-25-32(3,4)5;/h30H,6-28H2,1-5H3;1H/q+1;/p-1/t30-;/m0./s1