2-(1-pyrrolidin-1-ylcarbonylpyridin-1-ium-4-yl)ethanesulfonate

Systemtic Name: 2-(1-pyrrolidin-1-ylcarbonylpyridin-1-ium-4-yl)ethanesulfonate Openeye Name: 2-[1-(pyrrolidine-1-carbonyl)pyridin-1-ium-4-yl]ethanesulfonate CAS Name: 2-[1-[oxo(1-pyrrolidinyl)methyl]-4-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-(pyrrolidine-1-carbonyl)pyridin-1-ium-4-yl]ethanesulfonate Traditional Name: 2-[1-(pyrrolidine-1-carbonyl)pyridin-1-ium-4-yl]ethanesulfonate Formula: C12H16N2O4S MolecularWeight: 284.33144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)[N+]2=CC=C(C=C2)CCS(=O)(=O)[O-]

Isomeric SMILES

C1CCN(C1)C(=O)[N+]2=CC=C(C=C2)CCS(=O)(=O)[O-]

InChI

InChI=1S/C12H16N2O4S/c15-12(13-6-1-2-7-13)14-8-3-11(4-9-14)5-10-19(16,17)18/h3-4,8-9H,1-2,5-7,10H2