[2-methyl-3-(2-phenoxyethyl)tridecan-2-yl]azanium bromide

Systemtic Name: [2-methyl-3-(2-phenoxyethyl)tridecan-2-yl]azanium bromide Openeye Name: [1,1-dimethyl-2-(2-phenoxyethyl)dodecyl]ammonium bromide CAS Name: [2-methyl-3-(2-phenoxyethyl)tridecan-2-yl]ammonium bromide IUPAC Name: [2-methyl-3-(2-phenoxyethyl)tridecan-2-yl]azanium bromide Traditional Name: [1,1-dimethyl-2-(2-phenoxyethyl)dodecyl]ammonium bromide Formula: C22H40BrNO MolecularWeight: 414.4631

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC(CCOC1=CC=CC=C1)C(C)(C)[NH3+].[Br-]

Isomeric SMILES

CCCCCCCCCCC(CCOC1=CC=CC=C1)C(C)(C)[NH3+].[Br-]

InChI

InChI=1S/C22H39NO.BrH/c1-4-5-6-7-8-9-10-12-15-20(22(2,3)23)18-19-24-21-16-13-11-14-17-21;/h11,13-14,16-17,20H,4-10,12,15,18-19,23H2,1-3H3;1H