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

Systemtic Name: dimethyl-octadecyl-[2,3,4,5,6-pentakis(oxidanyl)hexyl]azanium bromide Openeye Name: dimethyl-octadecyl-(2,3,4,5,6-pentahydroxyhexyl)ammonium bromide CAS Name: dimethyl-octadecyl-(2,3,4,5,6-pentahydroxyhexyl)ammonium bromide IUPAC Name: dimethyl-octadecyl-(2,3,4,5,6-pentahydroxyhexyl)azanium bromide Traditional Name: dimethyl-(2,3,4,5,6-pentahydroxyhexyl)-stearyl-ammonium bromide Formula: C26H56BrNO5 MolecularWeight: 542.63054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H56NO5.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-27(2,3)21-23(29)25(31)26(32)24(30)22-28;/h23-26,28-32H,4-22H2,1-3H3;1H/q+1;/p-1