[1-(dimethylcarbamoyl)pyridin-1-ium-3-yl]methanesulfonate

Systemtic Name: [1-(dimethylcarbamoyl)pyridin-1-ium-3-yl]methanesulfonate Openeye Name: [1-(dimethylcarbamoyl)pyridin-1-ium-3-yl]methanesulfonate CAS Name: [1-[dimethylamino(oxo)methyl]-3-pyridin-1-iumyl]methanesulfonate IUPAC Name: [1-(dimethylcarbamoyl)pyridin-1-ium-3-yl]methanesulfonate Traditional Name: [1-(dimethylcarbamoyl)pyridin-1-ium-3-yl]methanesulfonate Formula: C9H12N2O4S MolecularWeight: 244.26758

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)[N+]1=CC=CC(=C1)CS(=O)(=O)[O-]

Isomeric SMILES

CN(C)C(=O)[N+]1=CC=CC(=C1)CS(=O)(=O)[O-]

InChI

InChI=1S/C9H12N2O4S/c1-10(2)9(12)11-5-3-4-8(6-11)7-16(13,14)15/h3-6H,7H2,1-2H3