1,3-bis(2-hydroxyethyl)-4-methyl-pyrimidin-1-ium-2-thione

Systemtic Name: 1,3-bis(2-hydroxyethyl)-4-methyl-pyrimidin-1-ium-2-thione Openeye Name: 1,3-bis(2-hydroxyethyl)-4-methyl-pyrimidin-1-ium-2-thione CAS Name: 1,3-bis(2-hydroxyethyl)-4-methyl-2-pyrimidin-1-iumthione IUPAC Name: 1,3-bis(2-hydroxyethyl)-4-methylpyrimidin-1-ium-2-thione Traditional Name: 1,3-bis(2-hydroxyethyl)-4-methyl-pyrimidin-1-ium-2-thione Formula: C9H15N2O2S+ MolecularWeight: 215.2926

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=[N+](C(=S)N1CCO)CCO

Isomeric SMILES

CC1=CC=[N+](C(=S)N1CCO)CCO

InChI

InChI=1S/C9H15N2O2S/c1-8-2-3-10(4-6-12)9(14)11(8)5-7-13/h2-3,12-13H,4-7H2,1H3/q+1