[3-carboxy-1,6-bis(oxidanyl)-6-oxidanylidene-hexan-3-yl]-dimethyl-tridecyl-azanium

Systemtic Name: [3-carboxy-1,6-bis(oxidanyl)-6-oxidanylidene-hexan-3-yl]-dimethyl-tridecyl-azanium Openeye Name: [1-carboxy-4-hydroxy-1-(2-hydroxyethyl)-4-oxo-butyl]-dimethyl-tridecyl-ammonium CAS Name: (3-carboxy-1,6-dihydroxy-6-oxohexan-3-yl)-dimethyl-tridecylammonium IUPAC Name: (3-carboxy-1,6-dihydroxy-6-oxohexan-3-yl)-dimethyl-tridecylazanium Traditional Name: [1-carboxy-4-hydroxy-1-(2-hydroxyethyl)-4-keto-butyl]-dimethyl-tridecyl-ammonium Formula: C22H44NO5+ MolecularWeight: 402.58846

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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)/p+1