3-azanylpropyl-(2,3-didodecoxypropyl)-dimethyl-azanium bromide

Systemtic Name: 3-azanylpropyl-(2,3-didodecoxypropyl)-dimethyl-azanium bromide Openeye Name: 3-aminopropyl-(2,3-didodecoxypropyl)-dimethyl-ammonium bromide CAS Name: 3-aminopropyl-(2,3-didodecoxypropyl)-dimethylammonium bromide IUPAC Name: 3-aminopropyl-(2,3-didodecoxypropyl)-dimethylazanium bromide Traditional Name: 3-aminopropyl-(2,3-dilauryloxypropyl)-dimethyl-ammonium bromide Formula: C32H69BrN2O2 MolecularWeight: 593.80646

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCC(C[N+](C)(C)CCCN)OCCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOCC(C[N+](C)(C)CCCN)OCCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C32H69N2O2.BrH/c1-5-7-9-11-13-15-17-19-21-23-28-35-31-32(30-34(3,4)27-25-26-33)36-29-24-22-20-18-16-14-12-10-8-6-2;/h32H,5-31,33H2,1-4H3;1H/q+1;/p-1