[4-carboxy-1,6-bis(oxidanyl)-1-oxidanylidene-heptan-4-yl]-dimethyl-(2-oxidanylhexadecan-4-yl)azanium

Systemtic Name: [4-carboxy-1,6-bis(oxidanyl)-1-oxidanylidene-heptan-4-yl]-dimethyl-(2-oxidanylhexadecan-4-yl)azanium Openeye Name: [1-carboxy-4-hydroxy-1-(2-hydroxypropyl)-4-oxo-butyl]-[1-(2-hydroxypropyl)tridecyl]-dimethyl-ammonium CAS Name: (4-carboxy-1,6-dihydroxy-1-oxoheptan-4-yl)-(2-hydroxyhexadecan-4-yl)-dimethylammonium IUPAC Name: (4-carboxy-1,6-dihydroxy-1-oxoheptan-4-yl)-(2-hydroxyhexadecan-4-yl)-dimethylazanium Traditional Name: [1-carboxy-4-hydroxy-1-(2-hydroxypropyl)-4-keto-butyl]-[1-(2-hydroxypropyl)tridecyl]-dimethyl-ammonium Formula: C26H52NO6+ MolecularWeight: 474.69418

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H51NO6/c1-6-7-8-9-10-11-12-13-14-15-16-23(19-21(2)28)27(4,5)26(25(32)33,20-22(3)29)18-17-24(30)31/h21-23,28-29H,6-20H2,1-5H3,(H-,30,31,32,33)/p+1