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

Systemtic Name: [(2S)-4-ethoxy-2-(16-nitrooxyhexadecanoyloxy)-4-oxidanylidene-butyl]-trimethyl-azanium chloride Openeye Name: [(2S)-4-ethoxy-2-(16-nitrooxyhexadecanoyloxy)-4-oxo-butyl]-trimethyl-ammonium chloride CAS Name: [(2S)-4-ethoxy-2-(16-nitrooxy-1-oxohexadecoxy)-4-oxobutyl]-trimethylammonium chloride IUPAC Name: [(2S)-4-ethoxy-2-(16-nitrooxyhexadecanoyloxy)-4-oxobutyl]-trimethylazanium chloride Traditional Name: [(2S)-4-ethoxy-4-keto-2-(16-nitrooxyhexadecanoyloxy)butyl]-trimethyl-ammonium chloride Formula: C25H49ClN2O7 MolecularWeight: 525.11876

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H49N2O7.ClH/c1-5-32-25(29)21-23(22-27(2,3)4)34-24(28)19-17-15-13-11-9-7-6-8-10-12-14-16-18-20-33-26(30)31;/h23H,5-22H2,1-4H3;1H/q+1;/p-1/t23-;/m0./s1