3-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]propane-1-sulfonic acid

Systemtic Name: 3-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]propane-1-sulfonic acid Openeye Name: 3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]propane-1-sulfonic acid CAS Name: 3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-1-propanesulfonic acid IUPAC Name: 3-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]propane-1-sulfonic acid Traditional Name: 3-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]propane-1-sulfonic acid Formula: C11H18N2O5S MolecularWeight: 290.33602

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H18N2O5S/c1-8-11(15)10(9(7-14)5-13-8)6-12-3-2-4-19(16,17)18/h5,12,14-15H,2-4,6-7H2,1H3,(H,16,17,18)