[3-carboxy-1,5-bis(oxidanyl)-1-oxidanylidene-pentan-3-yl]-[1-(dodecanoylamino)-3-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: [3-carboxy-1,5-bis(oxidanyl)-1-oxidanylidene-pentan-3-yl]-[1-(dodecanoylamino)-3-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [1-carboxy-3-hydroxy-1-(2-hydroxyethyl)-3-oxo-propyl]-[1-(dodecanoylamino)-3-hydroxy-propyl]-dimethyl-ammonium CAS Name: (3-carboxy-1,5-dihydroxy-1-oxopentan-3-yl)-[3-hydroxy-1-(1-oxododecylamino)propyl]-dimethylammonium IUPAC Name: (3-carboxy-1,5-dihydroxy-1-oxopentan-3-yl)-[1-(dodecanoylamino)-3-hydroxypropyl]-dimethylazanium Traditional Name: [1-carboxy-3-hydroxy-1-(2-hydroxyethyl)-3-keto-propyl]-[3-hydroxy-1-(lauroylamino)propyl]-dimethyl-ammonium Formula: C23H45N2O7+ MolecularWeight: 461.6126

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC(=O)NC(CCO)[N+](C)(C)C(CCO)(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCC(=O)NC(CCO)[N+](C)(C)C(CCO)(CC(=O)O)C(=O)O

InChI

InChI=1S/C23H44N2O7/c1-4-5-6-7-8-9-10-11-12-13-20(28)24-19(14-16-26)25(2,3)23(15-17-27,22(31)32)18-21(29)30/h19,26-27H,4-18H2,1-3H3,(H2-,24,28,29,30,31,32)/p+1