2-[1-(dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonate

Systemtic Name: 2-[1-(dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonate Openeye Name: 2-[1-(dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonate CAS Name: 2-[1-[dimethylamino(oxo)methyl]-4-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-(dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonate Traditional Name: 2-[1-(dimethylcarbamoyl)pyridin-1-ium-4-yl]ethanesulfonate Formula: C10H14N2O4S MolecularWeight: 258.29416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H14N2O4S/c1-11(2)10(13)12-6-3-9(4-7-12)5-8-17(14,15)16/h3-4,6-7H,5,8H2,1-2H3