[(2S)-4-ethoxy-2-(6-nitrooxyhexanoyloxy)-4-oxidanylidene-butyl]-trimethyl-azanium chloride

Systemtic Name: [(2S)-4-ethoxy-2-(6-nitrooxyhexanoyloxy)-4-oxidanylidene-butyl]-trimethyl-azanium chloride Openeye Name: [(2S)-4-ethoxy-2-(6-nitrooxyhexanoyloxy)-4-oxo-butyl]-trimethyl-ammonium chloride CAS Name: [(2S)-4-ethoxy-2-(6-nitrooxy-1-oxohexoxy)-4-oxobutyl]-trimethylammonium chloride IUPAC Name: [(2S)-4-ethoxy-2-(6-nitrooxyhexanoyloxy)-4-oxobutyl]-trimethylazanium chloride Traditional Name: [(2S)-4-ethoxy-4-keto-2-(6-nitrooxyhexanoyloxy)butyl]-trimethyl-ammonium chloride Formula: C15H29ClN2O7 MolecularWeight: 384.85296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H29N2O7.ClH/c1-5-22-15(19)11-13(12-17(2,3)4)24-14(18)9-7-6-8-10-23-16(20)21;/h13H,5-12H2,1-4H3;1H/q+1;/p-1/t13-;/m0./s1