2-[(4-methylphenyl)sulfonylmethyl]-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(4-methylphenyl)sulfonylmethyl]-1-oxidanidyl-pyridin-1-ium Openeye Name: 1-oxido-2-(p-tolylsulfonylmethyl)pyridin-1-ium CAS Name: 2-[(4-methylphenyl)sulfonylmethyl]-1-oxidopyridin-1-ium IUPAC Name: 2-[(4-methylphenyl)sulfonylmethyl]-1-oxidopyridin-1-ium Traditional Name: 1-oxido-2-(tosylmethyl)pyridin-1-ium Formula: C13H13NO3S MolecularWeight: 263.31222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C13H13NO3S/c1-11-5-7-13(8-6-11)18(16,17)10-12-4-2-3-9-14(12)15/h2-9H,10H2,1H3