2-[(4-methylphenyl)methyl]-3-methylsulfonyl-1-oxidanidyl-pyridin-1-ium

Systemtic Name: 2-[(4-methylphenyl)methyl]-3-methylsulfonyl-1-oxidanidyl-pyridin-1-ium Openeye Name: 3-methylsulfonyl-1-oxido-2-(p-tolylmethyl)pyridin-1-ium CAS Name: 2-[(4-methylphenyl)methyl]-3-methylsulfonyl-1-oxidopyridin-1-ium IUPAC Name: 2-[(4-methylphenyl)methyl]-3-methylsulfonyl-1-oxidopyridin-1-ium Traditional Name: 3-mesyl-2-(4-methylbenzyl)-1-oxido-pyridin-1-ium Formula: C14H15NO3S MolecularWeight: 277.3388

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H15NO3S/c1-11-5-7-12(8-6-11)10-13-14(19(2,17)18)4-3-9-15(13)16/h3-9H,10H2,1-2H3