2-[2-[(2-fluoranyl-3-methyl-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidin-3-ium

Systemtic Name: 2-[2-[(2-fluoranyl-3-methyl-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidin-3-ium Openeye Name: 2-[2-[(2-fluoro-3-methyl-phenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidin-3-ium CAS Name: 2-[2-[(2-fluoro-3-methylphenyl)methylthio]phenyl]-1,4,5,6-tetrahydropyrimidin-3-ium IUPAC Name: 2-[2-[(2-fluoro-3-methylphenyl)methylsulfanyl]phenyl]-1,4,5,6-tetrahydropyrimidin-3-ium Traditional Name: 2-[2-[(2-fluoro-3-methyl-benzyl)thio]phenyl]-1,4,5,6-tetrahydropyrimidin-3-ium Formula: C18H20FN2S+ MolecularWeight: 315.428203

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)CSC2=CC=CC=C2C3=[NH+]CCCN3)F

Isomeric SMILES

CC1=C(C(=CC=C1)CSC2=CC=CC=C2C3=[NH+]CCCN3)F

InChI

InChI=1S/C18H19FN2S/c1-13-6-4-7-14(17(13)19)12-22-16-9-3-2-8-15(16)18-20-10-5-11-21-18/h2-4,6-9H,5,10-12H2,1H3,(H,20,21)/p+1