4-(hydroxymethyl)-2-methyl-5-(thiomorpholin-4-ium-4-ylmethyl)pyridin-3-ol

Systemtic Name: 4-(hydroxymethyl)-2-methyl-5-(thiomorpholin-4-ium-4-ylmethyl)pyridin-3-ol Openeye Name: 4-(hydroxymethyl)-2-methyl-5-(thiomorpholin-4-ium-4-ylmethyl)pyridin-3-ol CAS Name: 4-(hydroxymethyl)-2-methyl-5-(4-thiomorpholin-4-iumylmethyl)-3-pyridinol IUPAC Name: 4-(hydroxymethyl)-2-methyl-5-(thiomorpholin-4-ium-4-ylmethyl)pyridin-3-ol Traditional Name: 2-methyl-4-methylol-5-(thiomorpholin-4-ium-4-ylmethyl)pyridin-3-ol Formula: C12H19N2O2S+ MolecularWeight: 255.35646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CO)C[NH+]2CCSCC2

Isomeric SMILES

CC1=NC=C(C(=C1O)CO)C[NH+]2CCSCC2

InChI

InChI=1S/C12H18N2O2S/c1-9-12(16)11(8-15)10(6-13-9)7-14-2-4-17-5-3-14/h6,15-16H,2-5,7-8H2,1H3/p+1