[1-(1-azanylethyl)-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-3-yl]methanesulfonic acid

Systemtic Name: [1-(1-azanylethyl)-4-methyl-2-oxidanyl-6-oxidanylidene-pyridin-3-yl]methanesulfonic acid Openeye Name: [1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridyl]methanesulfonic acid CAS Name: [1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxo-3-pyridinyl]methanesulfonic acid IUPAC Name: [1-(1-aminoethyl)-2-hydroxy-4-methyl-6-oxopyridin-3-yl]methanesulfonic acid Traditional Name: [1-(1-aminoethyl)-2-hydroxy-6-keto-4-methyl-3-pyridyl]methanesulfonic acid Formula: C9H14N2O5S MolecularWeight: 262.28286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N(C(=C1CS(=O)(=O)O)O)C(C)N

Isomeric SMILES

CC1=CC(=O)N(C(=C1CS(=O)(=O)O)O)C(C)N

InChI

InChI=1S/C9H14N2O5S/c1-5-3-8(12)11(6(2)10)9(13)7(5)4-17(14,15)16/h3,6,13H,4,10H2,1-2H3,(H,14,15,16)