trimethyl-[(2S)-2-(16-nitrooxyhexadecanoyloxy)-4-oxidanyl-4-oxidanylidene-butyl]azanium chloride

Systemtic Name: trimethyl-[(2S)-2-(16-nitrooxyhexadecanoyloxy)-4-oxidanyl-4-oxidanylidene-butyl]azanium chloride Openeye Name: [(2S)-4-hydroxy-2-(16-nitrooxyhexadecanoyloxy)-4-oxo-butyl]-trimethyl-ammonium chloride CAS Name: [(2S)-4-hydroxy-2-(16-nitrooxy-1-oxohexadecoxy)-4-oxobutyl]-trimethylammonium chloride IUPAC Name: [(2S)-4-hydroxy-2-(16-nitrooxyhexadecanoyloxy)-4-oxobutyl]-trimethylazanium chloride Traditional Name: [(2S)-4-hydroxy-4-keto-2-(16-nitrooxyhexadecanoyloxy)butyl]-trimethyl-ammonium chloride Formula: C23H45ClN2O7 MolecularWeight: 497.0656

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Descriptors Computed from Structure

Canonical SMILES:

C[N+](C)(C)CC(CC(=O)O)OC(=O)CCCCCCCCCCCCCCCO[N+](=O)[O-].[Cl-]

Isomeric SMILES

C[N+](C)(C)C[C@H](CC(=O)O)OC(=O)CCCCCCCCCCCCCCCO[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C23H44N2O7.ClH/c1-25(2,3)20-21(19-22(26)27)32-23(28)17-15-13-11-9-7-5-4-6-8-10-12-14-16-18-31-24(29)30;/h21H,4-20H2,1-3H3;1H/t21-;/m0./s1