4-(4-bromanyl-2,6-dimethyl-phenoxy)-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 4-(4-bromanyl-2,6-dimethyl-phenoxy)-1-oxidanidyl-pyridin-1-ium Openeye Name: 4-(4-bromo-2,6-dimethyl-phenoxy)-1-oxido-pyridin-1-ium CAS Name: 4-(4-bromo-2,6-dimethylphenoxy)-1-oxidopyridin-1-ium IUPAC Name: 4-(4-bromo-2,6-dimethylphenoxy)-1-oxidopyridin-1-ium Traditional Name: 4-(4-bromo-2,6-dimethyl-phenoxy)-1-oxido-pyridin-1-ium Formula: C13H12BrNO2 MolecularWeight: 294.14388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC=[N+](C=C2)[O-])C)Br

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC=[N+](C=C2)[O-])C)Br

InChI

InChI=1S/C13H12BrNO2/c1-9-7-11(14)8-10(2)13(9)17-12-3-5-15(16)6-4-12/h3-8H,1-2H3