2-[1-(hexadecanoylamino)butyl-dimethyl-azaniumyl]-2-methyl-propanoate

Systemtic Name: 2-[1-(hexadecanoylamino)butyl-dimethyl-azaniumyl]-2-methyl-propanoate Openeye Name: 2-[1-(hexadecanoylamino)butyl-dimethyl-ammonio]-2-methyl-propanoate CAS Name: 2-[dimethyl-[1-(1-oxohexadecylamino)butyl]ammonio]-2-methylpropanoate IUPAC Name: 2-[1-(hexadecanoylamino)butyl-dimethylazaniumyl]-2-methylpropanoate Traditional Name: 2-[dimethyl(1-palmitamidobutyl)ammonio]-2-methyl-propionate Formula: C26H52N2O3 MolecularWeight: 440.70268

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H52N2O3/c1-7-9-10-11-12-13-14-15-16-17-18-19-20-22-24(29)27-23(21-8-2)28(5,6)26(3,4)25(30)31/h23H,7-22H2,1-6H3,(H-,27,29,30,31)