hexadecyl(dimethyl)azanium; 2-propylpentanedioic acid; difluoride

Systemtic Name: hexadecyl(dimethyl)azanium; 2-propylpentanedioic acid; difluoride Openeye Name: hexadecyl(dimethyl)ammonium; 2-propylpentanedioic acid; difluoride CAS Name: hexadecyl(dimethyl)ammonium; 2-propylpentanedioic acid; difluoride IUPAC Name: hexadecyl(dimethyl)azanium; 2-propylpentanedioic acid; difluoride Traditional Name: cetyl(dimethyl)ammonium; 2-propylglutaric acid; difluoride Formula: C44H94F2N2O4 MolecularWeight: 753.224966

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCCCC[NH+](C)C.CCCC(CCC(=O)O)C(=O)O.[F-].[F-]

Isomeric SMILES

CCCCCCCCCCCCCCCC[NH+](C)C.CCCCCCCCCCCCCCCC[NH+](C)C.CCCC(CCC(=O)O)C(=O)O.[F-].[F-]

InChI

InChI=1S/2C18H39N.C8H14O4.2FH/c2*1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(2)3;1-2-3-6(8(11)12)4-5-7(9)10;;/h2*4-18H2,1-3H3;6H,2-5H2,1H3,(H,9,10)(H,11,12);2*1H