docosyl-dimethyl-[2,3,4,5,6-pentakis(oxidanyl)hexyl]azanium bromide

Systemtic Name: docosyl-dimethyl-[2,3,4,5,6-pentakis(oxidanyl)hexyl]azanium bromide Openeye Name: docosyl-dimethyl-(2,3,4,5,6-pentahydroxyhexyl)ammonium bromide CAS Name: docosyl-dimethyl-(2,3,4,5,6-pentahydroxyhexyl)ammonium bromide IUPAC Name: docosyl-dimethyl-(2,3,4,5,6-pentahydroxyhexyl)azanium bromide Traditional Name: behenyl-dimethyl-(2,3,4,5,6-pentahydroxyhexyl)ammonium bromide Formula: C30H64BrNO5 MolecularWeight: 598.73686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC(C(C(C(CO)O)O)O)O.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCCC[N+](C)(C)CC(C(C(C(CO)O)O)O)O.[Br-]

InChI

InChI=1S/C30H64NO5.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-31(2,3)25-27(33)29(35)30(36)28(34)26-32;/h27-30,32-36H,4-26H2,1-3H3;1H/q+1;/p-1