2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[(2-chloranyl-4-fluoranyl-phenyl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[(2-chloro-4-fluoro-phenyl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[(2-chloro-4-fluorophenyl)methylthio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[(2-chloro-4-fluorophenyl)methylsulfanylmethyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[(2-chloro-4-fluoro-benzyl)thio]methyl]-7-methyl-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H15ClFN2OS+ MolecularWeight: 349.830203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC1=C[N+]2=C(C=C1)NC(=CC2=O)CSCC3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C17H14ClFN2OS/c1-11-2-5-16-20-14(7-17(22)21(16)8-11)10-23-9-12-3-4-13(19)6-15(12)18/h2-8H,9-10H2,1H3/p+1