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

Systemtic Name: [2-[[2-bromanyl-4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]methylazanium Openeye Name: [2-[[2-bromo-4-(1,1-dimethylpropyl)phenoxy]methyl]phenyl]methylammonium CAS Name: [2-[[2-bromo-4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]methylammonium IUPAC Name: [2-[[2-bromo-4-(2-methylbutan-2-yl)phenoxy]methyl]phenyl]methylazanium Traditional Name: [2-[(4-tert-amyl-2-bromo-phenoxy)methyl]benzyl]ammonium Formula: C19H25BrNO+ MolecularWeight: 363.3119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H24BrNO/c1-4-19(2,3)16-9-10-18(17(20)11-16)22-13-15-8-6-5-7-14(15)12-21/h5-11H,4,12-13,21H2,1-3H3/p+1