trimethyl-(4-oxidanyl-4-oxidanylidene-2-tridecanoyloxy-butyl)azanium chloride

Systemtic Name: trimethyl-(4-oxidanyl-4-oxidanylidene-2-tridecanoyloxy-butyl)azanium chloride Openeye Name: (4-hydroxy-4-oxo-2-tridecanoyloxy-butyl)-trimethyl-ammonium chloride CAS Name: [4-hydroxy-4-oxo-2-(1-oxotridecoxy)butyl]-trimethylammonium chloride IUPAC Name: (4-hydroxy-4-oxo-2-tridecanoyloxybutyl)-trimethylazanium chloride Traditional Name: (4-hydroxy-4-keto-2-tridecanoyloxy-butyl)-trimethyl-ammonium chloride Formula: C20H40ClNO4 MolecularWeight: 393.9889

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H39NO4.ClH/c1-5-6-7-8-9-10-11-12-13-14-15-20(24)25-18(16-19(22)23)17-21(2,3)4;/h18H,5-17H2,1-4H3;1H