2-(phenylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidin-3-ium chloride

Systemtic Name: 2-(phenylmethylsulfanyl)-1,4,5,6-tetrahydropyrimidin-3-ium chloride Openeye Name: 2-benzylsulfanyl-1,4,5,6-tetrahydropyrimidin-3-ium chloride CAS Name: 2-(phenylmethylthio)-1,4,5,6-tetrahydropyrimidin-3-ium chloride IUPAC Name: 2-benzylsulfanyl-1,4,5,6-tetrahydropyrimidin-3-ium chloride Traditional Name: 2-(benzylthio)-1,4,5,6-tetrahydropyrimidin-3-ium chloride Formula: C11H15ClN2S MolecularWeight: 242.7682

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Descriptors Computed from Structure

Canonical SMILES:

C1CNC(=[NH+]C1)SCC2=CC=CC=C2.[Cl-]

Isomeric SMILES

C1CNC(=[NH+]C1)SCC2=CC=CC=C2.[Cl-]

InChI

InChI=1S/C11H14N2S.ClH/c1-2-5-10(6-3-1)9-14-11-12-7-4-8-13-11;/h1-3,5-6H,4,7-9H2,(H,12,13);1H