[2-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]phenyl]methylazanium

Systemtic Name: [2-[(4-bromanyl-2-tert-butyl-phenoxy)methyl]phenyl]methylazanium Openeye Name: [2-[(4-bromo-2-tert-butyl-phenoxy)methyl]phenyl]methylammonium CAS Name: [2-[(4-bromo-2-tert-butylphenoxy)methyl]phenyl]methylammonium IUPAC Name: [2-[(4-bromo-2-tert-butylphenoxy)methyl]phenyl]methylazanium Traditional Name: [2-[(4-bromo-2-tert-butyl-phenoxy)methyl]benzyl]ammonium Formula: C18H23BrNO+ MolecularWeight: 349.28532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H22BrNO/c1-18(2,3)16-10-15(19)8-9-17(16)21-12-14-7-5-4-6-13(14)11-20/h4-10H,11-12,20H2,1-3H3/p+1