[2-[[2-bromanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]phenyl]methylazanium

Systemtic Name: [2-[[2-bromanyl-4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]phenyl]methylazanium Openeye Name: [2-[[2-bromo-4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]phenyl]methylammonium CAS Name: [2-[[2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]phenyl]methylammonium IUPAC Name: [2-[[2-bromo-4-(2,4,4-trimethylpentan-2-yl)phenoxy]methyl]phenyl]methylazanium Traditional Name: [2-[[2-bromo-4-(1,1,3,3-tetramethylbutyl)phenoxy]methyl]benzyl]ammonium Formula: C22H31BrNO+ MolecularWeight: 405.39164

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCC2=CC=CC=C2C[NH3+])Br

Isomeric SMILES

CC(C)(C)CC(C)(C)C1=CC(=C(C=C1)OCC2=CC=CC=C2C[NH3+])Br

InChI

InChI=1S/C22H30BrNO/c1-21(2,3)15-22(4,5)18-10-11-20(19(23)12-18)25-14-17-9-7-6-8-16(17)13-24/h6-12H,13-15,24H2,1-5H3/p+1