1-(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)-2-(4-methylsulfonylphenyl)ethanone

Systemtic Name: 1-(6-methyl-1-oxidanidyl-pyridin-1-ium-3-yl)-2-(4-methylsulfonylphenyl)ethanone Openeye Name: 1-(6-methyl-1-oxido-pyridin-1-ium-3-yl)-2-(4-methylsulfonylphenyl)ethanone CAS Name: 1-(6-methyl-1-oxido-3-pyridin-1-iumyl)-2-(4-methylsulfonylphenyl)ethanone IUPAC Name: 1-(6-methyl-1-oxidopyridin-1-ium-3-yl)-2-(4-methylsulfonylphenyl)ethanone Traditional Name: 2-(4-mesylphenyl)-1-(6-methyl-1-oxido-pyridin-1-ium-3-yl)ethanone Formula: C15H15NO4S MolecularWeight: 305.3489

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C=C1)C(=O)CC2=CC=C(C=C2)S(=O)(=O)C)[O-]

Isomeric SMILES

CC1=[N+](C=C(C=C1)C(=O)CC2=CC=C(C=C2)S(=O)(=O)C)[O-]

InChI

InChI=1S/C15H15NO4S/c1-11-3-6-13(10-16(11)18)15(17)9-12-4-7-14(8-5-12)21(2,19)20/h3-8,10H,9H2,1-2H3