[2-oxidanyl-4-(2-oxidanylpropyl)docosan-5-yl]azanium bromide

Systemtic Name: [2-oxidanyl-4-(2-oxidanylpropyl)docosan-5-yl]azanium bromide Openeye Name: 1-[3-hydroxy-1-(2-hydroxypropyl)butyl]octadecylammonium bromide CAS Name: [2-hydroxy-4-(2-hydroxypropyl)docosan-5-yl]ammonium bromide IUPAC Name: [2-hydroxy-4-(2-hydroxypropyl)docosan-5-yl]azanium bromide Traditional Name: 1-[3-hydroxy-1-(2-hydroxypropyl)butyl]octadecylammonium bromide Formula: C25H54BrNO2 MolecularWeight: 480.60576

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(C(CC(C)O)CC(C)O)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(C(CC(C)O)CC(C)O)[NH3+].[Br-]

InChI

InChI=1S/C25H53NO2.BrH/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-25(26)24(20-22(2)27)21-23(3)28;/h22-25,27-28H,4-21,26H2,1-3H3;1H