5-bromanyl-2-[1-(2,5-dimethylphenyl)ethylsulfonyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 5-bromanyl-2-[1-(2,5-dimethylphenyl)ethylsulfonyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 5-bromo-2-[1-(2,5-dimethylphenyl)ethylsulfonyl]-1-oxido-pyridin-1-ium CAS Name: 5-bromo-2-[1-(2,5-dimethylphenyl)ethylsulfonyl]-1-oxidopyridin-1-ium IUPAC Name: 5-bromo-2-[1-(2,5-dimethylphenyl)ethylsulfonyl]-1-oxidopyridin-1-ium Traditional Name: 5-bromo-2-[1-(2,5-dimethylphenyl)ethylsulfonyl]-1-oxido-pyridin-1-ium Formula: C15H16BrNO3S MolecularWeight: 370.26144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(C)S(=O)(=O)C2=[N+](C=C(C=C2)Br)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(C)S(=O)(=O)C2=[N+](C=C(C=C2)Br)[O-]

InChI

InChI=1S/C15H16BrNO3S/c1-10-4-5-11(2)14(8-10)12(3)21(19,20)15-7-6-13(16)9-17(15)18/h4-9,12H,1-3H3