4,6-dimethyl-2-methylsulfonyl-pyridin-1-ium-3-carbonitrile

Systemtic Name: 4,6-dimethyl-2-methylsulfonyl-pyridin-1-ium-3-carbonitrile Openeye Name: 4,6-dimethyl-2-methylsulfonyl-pyridin-1-ium-3-carbonitrile CAS Name: 4,6-dimethyl-2-methylsulfonyl-3-pyridin-1-iumcarbonitrile IUPAC Name: 4,6-dimethyl-2-methylsulfonylpyridin-1-ium-3-carbonitrile Traditional Name: 2-mesyl-4,6-dimethyl-pyridin-1-ium-3-carbonitrile Formula: C9H11N2O2S+ MolecularWeight: 211.26084

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=C1C#N)S(=O)(=O)C)C

Isomeric SMILES

CC1=CC(=[NH+]C(=C1C#N)S(=O)(=O)C)C

InChI

InChI=1S/C9H10N2O2S/c1-6-4-7(2)11-9(8(6)5-10)14(3,12)13/h4H,1-3H3/p+1