2-[dimethyl(tridecyl)azaniumyl]-2-(2-hydroxyethyl)-5-oxidanyl-5-oxidanylidene-pentanoate

Systemtic Name: 2-[dimethyl(tridecyl)azaniumyl]-2-(2-hydroxyethyl)-5-oxidanyl-5-oxidanylidene-pentanoate Openeye Name: 2-[dimethyl(tridecyl)ammonio]-5-hydroxy-2-(2-hydroxyethyl)-5-oxo-pentanoate CAS Name: 2-[dimethyl(tridecyl)ammonio]-5-hydroxy-2-(2-hydroxyethyl)-5-oxopentanoate IUPAC Name: 2-[dimethyl(tridecyl)azaniumyl]-5-hydroxy-2-(2-hydroxyethyl)-5-oxopentanoate Traditional Name: 2-[dimethyl(tridecyl)ammonio]-5-hydroxy-2-(2-hydroxyethyl)-5-keto-valerate Formula: C22H43NO5 MolecularWeight: 401.58052

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC[N+](C)(C)C(CCC(=O)O)(CCO)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCC[N+](C)(C)C(CCC(=O)O)(CCO)C(=O)[O-]

InChI

InChI=1S/C22H43NO5/c1-4-5-6-7-8-9-10-11-12-13-14-18-23(2,3)22(17-19-24,21(27)28)16-15-20(25)26/h24H,4-19H2,1-3H3,(H-,25,26,27,28)