2-[1-(hexadecanoylamino)ethyl-dimethyl-azaniumyl]-2-methyl-4-oxidanyl-4-oxidanylidene-butanoate

Systemtic Name: 2-[1-(hexadecanoylamino)ethyl-dimethyl-azaniumyl]-2-methyl-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 2-[1-(hexadecanoylamino)ethyl-dimethyl-ammonio]-4-hydroxy-2-methyl-4-oxo-butanoate CAS Name: 2-[dimethyl-[1-(1-oxohexadecylamino)ethyl]ammonio]-4-hydroxy-2-methyl-4-oxobutanoate IUPAC Name: 2-[1-(hexadecanoylamino)ethyl-dimethylazaniumyl]-4-hydroxy-2-methyl-4-oxobutanoate Traditional Name: 2-[dimethyl(1-palmitamidoethyl)ammonio]-4-hydroxy-4-keto-2-methyl-butyrate Formula: C25H48N2O5 MolecularWeight: 456.65902

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(C)[N+](C)(C)C(C)(CC(=O)O)C(=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)NC(C)[N+](C)(C)C(C)(CC(=O)O)C(=O)[O-]

InChI

InChI=1S/C25H48N2O5/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-22(28)26-21(2)27(4,5)25(3,24(31)32)20-23(29)30/h21H,6-20H2,1-5H3,(H2-,26,28,29,30,31,32)