1-(hexadecanoylamino)butyl-dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)azanium

Systemtic Name: 1-(hexadecanoylamino)butyl-dimethyl-(2-methyl-1-oxidanyl-1-oxidanylidene-propan-2-yl)azanium Openeye Name: 1-(hexadecanoylamino)butyl-(2-hydroxy-1,1-dimethyl-2-oxo-ethyl)-dimethyl-ammonium CAS Name: (1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethyl-[1-(1-oxohexadecylamino)butyl]ammonium IUPAC Name: 1-(hexadecanoylamino)butyl-(1-hydroxy-2-methyl-1-oxopropan-2-yl)-dimethylazanium Traditional Name: (2-hydroxy-2-keto-1,1-dimethyl-ethyl)-dimethyl-(1-palmitamidobutyl)ammonium Formula: C26H53N2O3+ MolecularWeight: 441.71062

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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)/p+1