2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(2-bromanyl-4,5-dimethoxy-phenyl)methylsulfanyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 2-[(2-bromo-4,5-dimethoxy-phenyl)methylsulfanyl]-1-oxido-pyridin-1-ium CAS Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylthio]-1-oxidopyridin-1-ium IUPAC Name: 2-[(2-bromo-4,5-dimethoxyphenyl)methylsulfanyl]-1-oxidopyridin-1-ium Traditional Name: 2-[(2-bromo-4,5-dimethoxy-benzyl)thio]-1-oxido-pyridin-1-ium Formula: C14H14BrNO3S MolecularWeight: 356.23486

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CSC2=CC=CC=[N+]2[O-])Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CSC2=CC=CC=[N+]2[O-])Br)OC

InChI

InChI=1S/C14H14BrNO3S/c1-18-12-7-10(11(15)8-13(12)19-2)9-20-14-5-3-4-6-16(14)17/h3-8H,9H2,1-2H3