3-acetyloxypropyl-(2,3-dihexoxypropyl)-dimethyl-azanium bromide

Systemtic Name: 3-acetyloxypropyl-(2,3-dihexoxypropyl)-dimethyl-azanium bromide Openeye Name: 3-acetoxypropyl-(2,3-dihexoxypropyl)-dimethyl-ammonium bromide CAS Name: 3-acetyloxypropyl-(2,3-dihexoxypropyl)-dimethylammonium bromide IUPAC Name: 3-acetyloxypropyl-(2,3-dihexoxypropyl)-dimethylazanium bromide Traditional Name: 3-acetoxypropyl-(2,3-dihexoxypropyl)-dimethyl-ammonium bromide Formula: C22H46BrNO4 MolecularWeight: 468.50894

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOCC(C[N+](C)(C)CCCOC(=O)C)OCCCCCC.[Br-]

Isomeric SMILES

CCCCCCOCC(C[N+](C)(C)CCCOC(=O)C)OCCCCCC.[Br-]

InChI

InChI=1S/C22H46NO4.BrH/c1-6-8-10-12-16-25-20-22(27-17-13-11-9-7-2)19-23(4,5)15-14-18-26-21(3)24;/h22H,6-20H2,1-5H3;1H/q+1;/p-1