(3-carboxy-1-oxidanyl-6-sulfo-hexan-3-yl)-[1-(dodecanoylamino)-3-oxidanyl-propyl]-dimethyl-azanium

Systemtic Name: (3-carboxy-1-oxidanyl-6-sulfo-hexan-3-yl)-[1-(dodecanoylamino)-3-oxidanyl-propyl]-dimethyl-azanium Openeye Name: [1-carboxy-1-(2-hydroxyethyl)-4-sulfo-butyl]-[1-(dodecanoylamino)-3-hydroxy-propyl]-dimethyl-ammonium CAS Name: (3-carboxy-1-hydroxy-6-sulfohexan-3-yl)-[3-hydroxy-1-(1-oxododecylamino)propyl]-dimethylammonium IUPAC Name: (3-carboxy-1-hydroxy-6-sulfohexan-3-yl)-[1-(dodecanoylamino)-3-hydroxypropyl]-dimethylazanium Traditional Name: [1-carboxy-1-(2-hydroxyethyl)-4-sulfo-butyl]-[3-hydroxy-1-(lauroylamino)propyl]-dimethyl-ammonium Formula: C24H49N2O8S+ MolecularWeight: 525.71946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H48N2O8S/c1-4-5-6-7-8-9-10-11-12-14-22(29)25-21(15-18-27)26(2,3)24(17-19-28,23(30)31)16-13-20-35(32,33)34/h21,27-28H,4-20H2,1-3H3,(H2-,25,29,30,31,32,33,34)/p+1