[3-carboxy-2-methyl-1,5-bis(oxidanyl)-1-oxidanylidene-hexan-3-yl]-dimethyl-(2-oxidanylhexadecan-4-yl)azanium

Systemtic Name: [3-carboxy-2-methyl-1,5-bis(oxidanyl)-1-oxidanylidene-hexan-3-yl]-dimethyl-(2-oxidanylhexadecan-4-yl)azanium Openeye Name: [1-carboxy-3-hydroxy-1-(2-hydroxy-1-methyl-2-oxo-ethyl)butyl]-[1-(2-hydroxypropyl)tridecyl]-dimethyl-ammonium CAS Name: (3-carboxy-1,5-dihydroxy-2-methyl-1-oxohexan-3-yl)-(2-hydroxyhexadecan-4-yl)-dimethylammonium IUPAC Name: (3-carboxy-1,5-dihydroxy-2-methyl-1-oxohexan-3-yl)-(2-hydroxyhexadecan-4-yl)-dimethylazanium Traditional Name: [1-carboxy-3-hydroxy-1-(2-hydroxy-2-keto-1-methyl-ethyl)butyl]-[1-(2-hydroxypropyl)tridecyl]-dimethyl-ammonium Formula: C26H52NO6+ MolecularWeight: 474.69418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H51NO6/c1-7-8-9-10-11-12-13-14-15-16-17-23(18-20(2)28)27(5,6)26(25(32)33,19-21(3)29)22(4)24(30)31/h20-23,28-29H,7-19H2,1-6H3,(H-,30,31,32,33)/p+1