hexadecyl-dimethyl-(11-oxidanyl-11-oxidanylidene-undecyl)azanium

Systemtic Name: hexadecyl-dimethyl-(11-oxidanyl-11-oxidanylidene-undecyl)azanium Openeye Name: hexadecyl-(11-hydroxy-11-oxo-undecyl)-dimethyl-ammonium CAS Name: hexadecyl-(11-hydroxy-11-oxoundecyl)-dimethylammonium IUPAC Name: hexadecyl-(11-hydroxy-11-oxoundecyl)-dimethylazanium Traditional Name: cetyl-(11-hydroxy-11-keto-undecyl)-dimethyl-ammonium Formula: C29H60NO2+ MolecularWeight: 454.7922

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCC(=O)O

Isomeric SMILES

CCCCCCCCCCCCCCCC[N+](C)(C)CCCCCCCCCCC(=O)O

InChI

InChI=1S/C29H59NO2/c1-4-5-6-7-8-9-10-11-12-13-15-18-21-24-27-30(2,3)28-25-22-19-16-14-17-20-23-26-29(31)32/h4-28H2,1-3H3/p+1