dodecyl-[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]-methyl-(phenylmethyl)azanium bromide

Systemtic Name: dodecyl-[3-(2-methoxyphenoxy)-2-oxidanyl-propyl]-methyl-(phenylmethyl)azanium bromide Openeye Name: benzyl-dodecyl-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methyl-ammonium bromide CAS Name: dodecyl-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methyl-(phenylmethyl)ammonium bromide IUPAC Name: benzyl-dodecyl-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-methylazanium bromide Traditional Name: benzyl-[2-hydroxy-3-(2-methoxyphenoxy)propyl]-lauryl-methyl-ammonium bromide Formula: C30H48BrNO3 MolecularWeight: 550.61102

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC[N+](C)(CC1=CC=CC=C1)CC(COC2=CC=CC=C2OC)O.[Br-]

Isomeric SMILES

CCCCCCCCCCCC[N+](C)(CC1=CC=CC=C1)CC(COC2=CC=CC=C2OC)O.[Br-]

InChI

InChI=1S/C30H48NO3.BrH/c1-4-5-6-7-8-9-10-11-12-18-23-31(2,24-27-19-14-13-15-20-27)25-28(32)26-34-30-22-17-16-21-29(30)33-3;/h13-17,19-22,28,32H,4-12,18,23-26H2,1-3H3;1H/q+1;/p-1