3-azanylpropyl-(1,4-didodecoxybutan-2-yl)-methyl-azanium bromide

Systemtic Name: 3-azanylpropyl-(1,4-didodecoxybutan-2-yl)-methyl-azanium bromide Openeye Name: 3-aminopropyl-[3-dodecoxy-1-(dodecoxymethyl)propyl]-methyl-ammonium bromide CAS Name: 3-aminopropyl-(1,4-didodecoxybutan-2-yl)-methylammonium bromide IUPAC Name: 3-aminopropyl-(1,4-didodecoxybutan-2-yl)-methylazanium bromide Traditional Name: 3-aminopropyl-[3-lauryloxy-1-(lauryloxymethyl)propyl]-methyl-ammonium bromide Formula: C32H69BrN2O2 MolecularWeight: 593.80646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCOCCC(COCCCCCCCCCCCC)[NH+](C)CCCN.[Br-]

Isomeric SMILES

CCCCCCCCCCCCOCCC(COCCCCCCCCCCCC)[NH+](C)CCCN.[Br-]

InChI

InChI=1S/C32H68N2O2.BrH/c1-4-6-8-10-12-14-16-18-20-22-28-35-30-25-32(34(3)27-24-26-33)31-36-29-23-21-19-17-15-13-11-9-7-5-2;/h32H,4-31,33H2,1-3H3;1H