[4-[(4-bromanyl-2,3,6-trimethyl-phenoxy)methyl]phenyl]methylazanium

Systemtic Name: [4-[(4-bromanyl-2,3,6-trimethyl-phenoxy)methyl]phenyl]methylazanium Openeye Name: [4-[(4-bromo-2,3,6-trimethyl-phenoxy)methyl]phenyl]methylammonium CAS Name: [4-[(4-bromo-2,3,6-trimethylphenoxy)methyl]phenyl]methylammonium IUPAC Name: [4-[(4-bromo-2,3,6-trimethylphenoxy)methyl]phenyl]methylazanium Traditional Name: [4-[(4-bromo-2,3,6-trimethyl-phenoxy)methyl]benzyl]ammonium Formula: C17H21BrNO+ MolecularWeight: 335.25874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1OCC2=CC=C(C=C2)C[NH3+])C)C)Br

Isomeric SMILES

CC1=CC(=C(C(=C1OCC2=CC=C(C=C2)C[NH3+])C)C)Br

InChI

InChI=1S/C17H20BrNO/c1-11-8-16(18)12(2)13(3)17(11)20-10-15-6-4-14(9-19)5-7-15/h4-8H,9-10,19H2,1-3H3/p+1