2-[dimethyl(2-oxidanylhexadecan-4-yl)azaniumyl]-5-oxidanyl-5-oxidanylidene-2-(2-oxidanylpropyl)pentanoate

Systemtic Name: 2-[dimethyl(2-oxidanylhexadecan-4-yl)azaniumyl]-5-oxidanyl-5-oxidanylidene-2-(2-oxidanylpropyl)pentanoate Openeye Name: 5-hydroxy-2-(2-hydroxypropyl)-2-[1-(2-hydroxypropyl)tridecyl-dimethyl-ammonio]-5-oxo-pentanoate CAS Name: 5-hydroxy-2-[2-hydroxyhexadecan-4-yl(dimethyl)ammonio]-2-(2-hydroxypropyl)-5-oxopentanoate IUPAC Name: 5-hydroxy-2-[2-hydroxyhexadecan-4-yl(dimethyl)azaniumyl]-2-(2-hydroxypropyl)-5-oxopentanoate Traditional Name: 5-hydroxy-2-(2-hydroxypropyl)-2-[1-(2-hydroxypropyl)tridecyl-dimethyl-ammonio]-5-keto-valerate Formula: C26H51NO6 MolecularWeight: 473.68624

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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)