2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]ethanesulfonic acid

Systemtic Name: 2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]ethanesulfonic acid Openeye Name: 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]ethanesulfonic acid CAS Name: 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]ethanesulfonic acid IUPAC Name: 2-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]ethanesulfonic acid Traditional Name: 2-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]ethanesulfonic acid Formula: C10H16N2O5S MolecularWeight: 276.30944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNCCS(=O)(=O)O)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)CNCCS(=O)(=O)O)CO

InChI

InChI=1S/C10H16N2O5S/c1-7-10(14)9(8(6-13)4-12-7)5-11-2-3-18(15,16)17/h4,11,13-14H,2-3,5-6H2,1H3,(H,15,16,17)