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

Systemtic Name: [3-carboxy-1,5-bis(oxidanyl)-1-oxidanylidene-hexan-3-yl]-dimethyl-(2-oxidanylhexadecan-4-yl)azanium Openeye Name: [1-carboxy-1-(carboxymethyl)-3-hydroxy-butyl]-[1-(2-hydroxypropyl)tridecyl]-dimethyl-ammonium CAS Name: (3-carboxy-1,5-dihydroxy-1-oxohexan-3-yl)-(2-hydroxyhexadecan-4-yl)-dimethylammonium IUPAC Name: (3-carboxy-1,5-dihydroxy-1-oxohexan-3-yl)-(2-hydroxyhexadecan-4-yl)-dimethylazanium Traditional Name: [1-carboxy-1-(carboxymethyl)-3-hydroxy-butyl]-[1-(2-hydroxypropyl)tridecyl]-dimethyl-ammonium Formula: C25H50NO6+ MolecularWeight: 460.6676

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H49NO6/c1-6-7-8-9-10-11-12-13-14-15-16-22(17-20(2)27)26(4,5)25(24(31)32,18-21(3)28)19-23(29)30/h20-22,27-28H,6-19H2,1-5H3,(H-,29,30,31,32)/p+1