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

Systemtic Name: sodium 2-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]ethanesulfonate Openeye Name: sodium 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]ethanesulfonate CAS Name: sodium 2-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]ethanesulfonate IUPAC Name: sodium 2-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]ethanesulfonate Traditional Name: sodium 2-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]ethanesulfonate Formula: C10H15N2NaO5S MolecularWeight: 298.29127

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C10H16N2O5S.Na/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);/q;+1/p-1