5-(hydroxymethyl)-2-methyl-1-oxidanidyl-4-(sulfanylmethyl)pyridin-1-ium-3-ol

Systemtic Name: 5-(hydroxymethyl)-2-methyl-1-oxidanidyl-4-(sulfanylmethyl)pyridin-1-ium-3-ol Openeye Name: 5-(hydroxymethyl)-2-methyl-1-oxido-4-(sulfanylmethyl)pyridin-1-ium-3-ol CAS Name: 5-(hydroxymethyl)-4-(mercaptomethyl)-2-methyl-1-oxido-3-pyridin-1-iumol IUPAC Name: 5-(hydroxymethyl)-2-methyl-1-oxido-4-(sulfanylmethyl)pyridin-1-ium-3-ol Traditional Name: 4-(mercaptomethyl)-2-methyl-5-methylol-1-oxido-pyridin-1-ium-3-ol Formula: C8H11NO3S MolecularWeight: 201.24284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=[N+](C=C(C(=C1O)CS)CO)[O-]

Isomeric SMILES

CC1=[N+](C=C(C(=C1O)CS)CO)[O-]

InChI

InChI=1S/C8H11NO3S/c1-5-8(11)7(4-13)6(3-10)2-9(5)12/h2,10-11,13H,3-4H2,1H3