2-[4-carboxy-2,6-bis(oxidanyl)heptan-4-yl]-2-(trimethylazaniumyl)tetradecanoate

Systemtic Name: 2-[4-carboxy-2,6-bis(oxidanyl)heptan-4-yl]-2-(trimethylazaniumyl)tetradecanoate Openeye Name: 2-[1-carboxy-3-hydroxy-1-(2-hydroxypropyl)butyl]-2-(trimethylammonio)tetradecanoate CAS Name: 2-(4-carboxy-2,6-dihydroxyheptan-4-yl)-2-(trimethylammonio)tetradecanoate IUPAC Name: 2-(4-carboxy-2,6-dihydroxyheptan-4-yl)-2-(trimethylazaniumyl)tetradecanoate Traditional Name: 2-[1-carboxy-3-hydroxy-1-(2-hydroxypropyl)butyl]-2-(trimethylammonio)myristate Formula: C25H49NO6 MolecularWeight: 459.65966

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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