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

Systemtic Name: 2-[(4-chlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium Openeye Name: 2-[(4-chlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium CAS Name: 2-[(4-chlorophenyl)methylthio]-1,4,5,6-tetrahydropyrimidin-3-ium IUPAC Name: 2-[(4-chlorophenyl)methylsulfanyl]-1,4,5,6-tetrahydropyrimidin-3-ium Traditional Name: 2-[(4-chlorobenzyl)thio]-1,4,5,6-tetrahydropyrimidin-3-ium Formula: C11H14ClN2S+ MolecularWeight: 241.76026

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13ClN2S/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)/p+1