methanesulfonate; phenyl(pyridin-1-ium-3-yl)methanone

Systemtic Name: methanesulfonate; phenyl(pyridin-1-ium-3-yl)methanone Openeye Name: methanesulfonate; phenyl(pyridin-1-ium-3-yl)methanone CAS Name: methanesulfonate; phenyl(3-pyridin-1-iumyl)methanone IUPAC Name: methanesulfonate; phenyl(pyridin-1-ium-3-yl)methanone Traditional Name: phenyl(pyridin-1-ium-3-yl)methanone dimesylate Formula: C14H16NO7S2- MolecularWeight: 374.40934

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)C2=C[NH+]=CC=C2

Isomeric SMILES

CS(=O)(=O)[O-].CS(=O)(=O)[O-].C1=CC=C(C=C1)C(=O)C2=C[NH+]=CC=C2

InChI

InChI=1S/C12H9NO.2CH4O3S/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11;2*1-5(2,3)4/h1-9H;2*1H3,(H,2,3,4)/p-1