2-(3-methylpyridin-1-ium-1-yl)ethanesulfonate

Systemtic Name: 2-(3-methylpyridin-1-ium-1-yl)ethanesulfonate Openeye Name: 2-(3-methylpyridin-1-ium-1-yl)ethanesulfonate CAS Name: 2-(3-methyl-1-pyridin-1-iumyl)ethanesulfonate IUPAC Name: 2-(3-methylpyridin-1-ium-1-yl)ethanesulfonate Traditional Name: 2-(3-methylpyridin-1-ium-1-yl)ethanesulfonate Formula: C8H11NO3S MolecularWeight: 201.24284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+](=CC=C1)CCS(=O)(=O)[O-]

Isomeric SMILES

CC1=C[N+](=CC=C1)CCS(=O)(=O)[O-]

InChI

InChI=1S/C8H11NO3S/c1-8-3-2-4-9(7-8)5-6-13(10,11)12/h2-4,7H,5-6H2,1H3