trimethyl-[(2S)-4-octadecoxy-2-oxidanyl-4-oxidanylidene-butyl]azanium iodide

Systemtic Name: trimethyl-[(2S)-4-octadecoxy-2-oxidanyl-4-oxidanylidene-butyl]azanium iodide Openeye Name: [(2S)-2-hydroxy-4-octadecoxy-4-oxo-butyl]-trimethyl-ammonium iodide CAS Name: [(2S)-2-hydroxy-4-octadecoxy-4-oxobutyl]-trimethylammonium iodide IUPAC Name: [(2S)-2-hydroxy-4-octadecoxy-4-oxobutyl]-trimethylazanium iodide Traditional Name: [(2S)-2-hydroxy-4-keto-4-stearyloxy-butyl]-trimethyl-ammonium iodide Formula: C25H52INO3 MolecularWeight: 541.58975

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC(=O)CC(C[N+](C)(C)C)O.[I-]

Isomeric SMILES

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

InChI

InChI=1S/C25H52NO3.HI/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-29-25(28)22-24(27)23-26(2,3)4;/h24,27H,5-23H2,1-4H3;1H/q+1;/p-1/t24-;/m0./s1