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

Systemtic Name: [3-carboxy-1,5-bis(oxidanyl)-1-oxidanylidene-pentan-3-yl]-dimethyl-(1-oxidanylpentadecan-3-yl)azanium Openeye Name: [1-carboxy-3-hydroxy-1-(2-hydroxyethyl)-3-oxo-propyl]-[1-(2-hydroxyethyl)tridecyl]-dimethyl-ammonium CAS Name: (3-carboxy-1,5-dihydroxy-1-oxopentan-3-yl)-(1-hydroxypentadecan-3-yl)-dimethylammonium IUPAC Name: (3-carboxy-1,5-dihydroxy-1-oxopentan-3-yl)-(1-hydroxypentadecan-3-yl)-dimethylazanium Traditional Name: [1-carboxy-3-hydroxy-1-(2-hydroxyethyl)-3-keto-propyl]-[1-(2-hydroxyethyl)tridecyl]-dimethyl-ammonium Formula: C23H46NO6+ MolecularWeight: 432.61444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC(CCO)[N+](C)(C)C(CCO)(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCCCCCCCCCC(CCO)[N+](C)(C)C(CCO)(CC(=O)O)C(=O)O

InChI

InChI=1S/C23H45NO6/c1-4-5-6-7-8-9-10-11-12-13-14-20(15-17-25)24(2,3)23(16-18-26,22(29)30)19-21(27)28/h20,25-26H,4-19H2,1-3H3,(H-,27,28,29,30)/p+1