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

Systemtic Name: 2-[1-(dodecanoylamino)ethyl-dimethyl-azaniumyl]-2-methyl-4-oxidanyl-4-oxidanylidene-butanoate Openeye Name: 2-[1-(dodecanoylamino)ethyl-dimethyl-ammonio]-4-hydroxy-2-methyl-4-oxo-butanoate CAS Name: 2-[dimethyl-[1-(1-oxododecylamino)ethyl]ammonio]-4-hydroxy-2-methyl-4-oxobutanoate IUPAC Name: 2-[1-(dodecanoylamino)ethyl-dimethylazaniumyl]-4-hydroxy-2-methyl-4-oxobutanoate Traditional Name: 4-hydroxy-4-keto-2-[1-(lauroylamino)ethyl-dimethyl-ammonio]-2-methyl-butyrate Formula: C21H40N2O5 MolecularWeight: 400.5527

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H40N2O5/c1-6-7-8-9-10-11-12-13-14-15-18(24)22-17(2)23(4,5)21(3,20(27)28)16-19(25)26/h17H,6-16H2,1-5H3,(H2-,22,24,25,26,27,28)