methanesulfonate; 5-methylsulfonyl-1-pyridin-1-ium-3-yl-pentan-1-one

Systemtic Name: methanesulfonate; 5-methylsulfonyl-1-pyridin-1-ium-3-yl-pentan-1-one Openeye Name: methanesulfonate; 5-methylsulfonyl-1-pyridin-1-ium-3-yl-pentan-1-one CAS Name: methanesulfonate; 5-methylsulfonyl-1-(3-pyridin-1-iumyl)-1-pentanone IUPAC Name: methanesulfonate; 5-methylsulfonyl-1-pyridin-1-ium-3-ylpentan-1-one Traditional Name: 5-mesyl-1-pyridin-1-ium-3-yl-pentan-1-one mesylate Formula: C12H19NO6S2 MolecularWeight: 337.41236

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO3S.CH4O3S/c1-16(14,15)8-3-2-6-11(13)10-5-4-7-12-9-10;1-5(2,3)4/h4-5,7,9H,2-3,6,8H2,1H3;1H3,(H,2,3,4)