2-[dimethyl(1-oxidanylpentadecan-3-yl)azaniumyl]-2-(2-hydroxyethyl)-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 2-[dimethyl(1-oxidanylpentadecan-3-yl)azaniumyl]-2-(2-hydroxyethyl)-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 4-hydroxy-2-(2-hydroxyethyl)-2-[1-(2-hydroxyethyl)tridecyl-dimethyl-ammonio]-4-oxo-butanoate CAS Name: 4-hydroxy-2-(2-hydroxyethyl)-2-[1-hydroxypentadecan-3-yl(dimethyl)ammonio]-4-oxobutanoate IUPAC Name: 4-hydroxy-2-(2-hydroxyethyl)-2-[1-hydroxypentadecan-3-yl(dimethyl)azaniumyl]-4-oxobutanoate Traditional Name: 4-hydroxy-2-(2-hydroxyethyl)-2-[1-(2-hydroxyethyl)tridecyl-dimethyl-ammonio]-4-keto-butyrate Formula: C23H45NO6 MolecularWeight: 431.6065

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H45NO6/c1-4-5-6-7-8-9-10-11-12-13-14-20(15-17-25)24(2,3)23(16-18-26,22(29)30)19-21(27)28/h20,25-26H,4-19H2,1-3H3,(H-,27,28,29,30)