2-[(4-chlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium chloride

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium chloride Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium chloride CAS Name: 2-[(4-chlorophenyl)methylthio]-1,4,5,6-tetrahydropyrimidin-3-ium chloride IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium chloride Traditional Name: 2-[(4-chlorobenzyl)thio]-1,4,5,6-tetrahydropyrimidin-3-ium chloride Formula: C11H14Cl2N2S MolecularWeight: 277.21326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN2S.ClH/c12-10-4-2-9(3-5-10)8-15-11-13-6-1-7-14-11;/h2-5H,1,6-8H2,(H,13,14);1H