2,3-didodecoxypropyl(2-oxidanylbutan-2-yl)azanium bromide

Systemtic Name: 2,3-didodecoxypropyl(2-oxidanylbutan-2-yl)azanium bromide Openeye Name: 2,3-didodecoxypropyl-(1-hydroxy-1-methyl-propyl)ammonium bromide CAS Name: 2,3-didodecoxypropyl(2-hydroxybutan-2-yl)ammonium bromide IUPAC Name: 2,3-didodecoxypropyl(2-hydroxybutan-2-yl)azanium bromide Traditional Name: 2,3-dilauryloxypropyl-(1-hydroxy-1-methyl-propyl)ammonium bromide Formula: C31H66BrNO3 MolecularWeight: 580.76464

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC(C[NH2+]C(C)(CC)O)OCCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOCC(C[NH2+]C(C)(CC)O)OCCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C31H65NO3.BrH/c1-5-8-10-12-14-16-18-20-22-24-26-34-29-30(28-32-31(4,33)7-3)35-27-25-23-21-19-17-15-13-11-9-6-2;/h30,32-33H,5-29H2,1-4H3;1H