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

Systemtic Name: 2-(1-morpholin-4-ylcarbonylpyridin-1-ium-4-yl)ethanesulfonate Openeye Name: 2-[1-(morpholine-4-carbonyl)pyridin-1-ium-4-yl]ethanesulfonate CAS Name: 2-[1-[4-morpholinyl(oxo)methyl]-4-pyridin-1-iumyl]ethanesulfonate IUPAC Name: 2-[1-(morpholine-4-carbonyl)pyridin-1-ium-4-yl]ethanesulfonate Traditional Name: 2-[1-(morpholine-4-carbonyl)pyridin-1-ium-4-yl]ethanesulfonate Formula: C12H16N2O5S MolecularWeight: 300.33084

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C(=O)[N+]2=CC=C(C=C2)CCS(=O)(=O)[O-]

Isomeric SMILES

C1COCCN1C(=O)[N+]2=CC=C(C=C2)CCS(=O)(=O)[O-]

InChI

InChI=1S/C12H16N2O5S/c15-12(14-6-8-19-9-7-14)13-4-1-11(2-5-13)3-10-20(16,17)18/h1-2,4-5H,3,6-10H2