2-[(4-bromanyl-2,5-dimethyl-phenyl)methylsulfanyl]-1-oxidanyl-pyridin-1-ium

Systemtic Name: 2-[(4-bromanyl-2,5-dimethyl-phenyl)methylsulfanyl]-1-oxidanyl-pyridin-1-ium Openeye Name: 2-[(4-bromo-2,5-dimethyl-phenyl)methylsulfanyl]-1-hydroxy-pyridin-1-ium CAS Name: 2-[(4-bromo-2,5-dimethylphenyl)methylthio]-1-hydroxypyridin-1-ium IUPAC Name: 2-[(4-bromo-2,5-dimethylphenyl)methylsulfanyl]-1-hydroxypyridin-1-ium Traditional Name: 2-[(4-bromo-2,5-dimethyl-benzyl)thio]-1-hydroxy-pyridin-1-ium Formula: C14H15BrNOS+ MolecularWeight: 325.244

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1CSC2=CC=CC=[N+]2O)C)Br

Isomeric SMILES

CC1=CC(=C(C=C1CSC2=CC=CC=[N+]2O)C)Br

InChI

InChI=1S/C14H15BrNOS/c1-10-8-13(15)11(2)7-12(10)9-18-14-5-3-4-6-16(14)17/h3-8,17H,9H2,1-2H3/q+1