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

Systemtic Name: 3-azanylpropyl-(2,3-dihexadecoxypropyl)-dimethyl-azanium bromide Openeye Name: 3-aminopropyl-(2,3-dihexadecoxypropyl)-dimethyl-ammonium bromide CAS Name: 3-aminopropyl-(2,3-dihexadecoxypropyl)-dimethylammonium bromide IUPAC Name: 3-aminopropyl-(2,3-dihexadecoxypropyl)-dimethylazanium bromide Traditional Name: 3-aminopropyl-(2,3-dicetyloxypropyl)-dimethyl-ammonium bromide Formula: C40H85BrN2O2 MolecularWeight: 706.0191

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCOCC(C[N+](C)(C)CCCN)OCCCCCCCCCCCCCCCC.[Br-]

Isomeric SMILES

CCCCCCCCCCCCCCCCOCC(C[N+](C)(C)CCCN)OCCCCCCCCCCCCCCCC.[Br-]

InChI

InChI=1S/C40H85N2O2.BrH/c1-5-7-9-11-13-15-17-19-21-23-25-27-29-31-36-43-39-40(38-42(3,4)35-33-34-41)44-37-32-30-28-26-24-22-20-18-16-14-12-10-8-6-2;/h40H,5-39,41H2,1-4H3;1H/q+1;/p-1