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

Systemtic Name: sodium 3-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]propane-1-sulfonate Openeye Name: sodium 3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]propane-1-sulfonate CAS Name: sodium 3-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]-1-propanesulfonate IUPAC Name: sodium 3-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]propane-1-sulfonate Traditional Name: sodium 3-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]propane-1-sulfonate Formula: C11H17N2NaO5S MolecularWeight: 312.31785

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNCCCS(=O)(=O)[O-])CO.[Na+]

Isomeric SMILES

CC1=NC=C(C(=C1O)CNCCCS(=O)(=O)[O-])CO.[Na+]

InChI

InChI=1S/C11H18N2O5S.Na/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);/q;+1/p-1