2-[dimethyl(2-oxidanylhexadecan-4-yl)azaniumyl]-4-oxidanyl-2-(1-oxidanyl-1-oxidanylidene-propan-2-yl)pentanoate

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

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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)