5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-1,2-dimethyl-pyrimidin-4-one

Systemtic Name: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-1,2-dimethyl-pyrimidin-4-one Openeye Name: 5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-1,2-dimethyl-pyrimidin-4-one CAS Name: 5-[[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]methyl]-1,2-dimethyl-4-pyrimidinone IUPAC Name: 5-[[5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-3-yl]methyl]-1,2-dimethylpyrimidin-4-one Traditional Name: 5-[[5-(2-hydroxyethyl)-4-methyl-thiazol-3-ium-3-yl]methyl]-1,2-dimethyl-pyrimidin-4-one Formula: C13H18N3O2S+ MolecularWeight: 280.36592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1CC2=CN(C(=NC2=O)C)C)CCO

Isomeric SMILES

CC1=C(SC=[N+]1CC2=CN(C(=NC2=O)C)C)CCO

InChI

InChI=1S/C13H18N3O2S/c1-9-12(4-5-17)19-8-16(9)7-11-6-15(3)10(2)14-13(11)18/h6,8,17H,4-5,7H2,1-3H3/q+1