[5-(2-azanylethyl)-4-methyl-2-oxidanyl-6-oxidanylidene-1H-pyridin-3-yl]methanesulfonic acid

Systemtic Name: [5-(2-azanylethyl)-4-methyl-2-oxidanyl-6-oxidanylidene-1H-pyridin-3-yl]methanesulfonic acid Openeye Name: [5-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl]methanesulfonic acid CAS Name: [5-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl]methanesulfonic acid IUPAC Name: [5-(2-aminoethyl)-2-hydroxy-4-methyl-6-oxo-1H-pyridin-3-yl]methanesulfonic acid Traditional Name: [5-(2-aminoethyl)-2-hydroxy-6-keto-4-methyl-1H-pyridin-3-yl]methanesulfonic acid Formula: C9H14N2O5S MolecularWeight: 262.28286

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)NC(=C1CS(=O)(=O)O)O)CCN

Isomeric SMILES

CC1=C(C(=O)NC(=C1CS(=O)(=O)O)O)CCN

InChI

InChI=1S/C9H14N2O5S/c1-5-6(2-3-10)8(12)11-9(13)7(5)4-17(14,15)16/h2-4,10H2,1H3,(H2,11,12,13)(H,14,15,16)