[2-[(2-bromanyl-4,6-ditert-butyl-phenoxy)methyl]phenyl]methylazanium

Systemtic Name: [2-[(2-bromanyl-4,6-ditert-butyl-phenoxy)methyl]phenyl]methylazanium Openeye Name: [2-[(2-bromo-4,6-ditert-butyl-phenoxy)methyl]phenyl]methylammonium CAS Name: [2-[(2-bromo-4,6-ditert-butylphenoxy)methyl]phenyl]methylammonium IUPAC Name: [2-[(2-bromo-4,6-ditert-butylphenoxy)methyl]phenyl]methylazanium Traditional Name: [2-[(2-bromo-4,6-ditert-butyl-phenoxy)methyl]benzyl]ammonium Formula: C22H31BrNO+ MolecularWeight: 405.39164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30BrNO/c1-21(2,3)17-11-18(22(4,5)6)20(19(23)12-17)25-14-16-10-8-7-9-15(16)13-24/h7-12H,13-14,24H2,1-6H3/p+1