2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[[2-(trifluoromethyl)phenyl]methylthio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[2-(trifluoromethyl)phenyl]methylsulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[2-(trifluoromethyl)benzyl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C17H14F3N2OS+ MolecularWeight: 351.36607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CSCC2=CC(=O)[N+]3=CC=CC=C3N2)C(F)(F)F

Isomeric SMILES

C1=CC=C(C(=C1)CSCC2=CC(=O)[N+]3=CC=CC=C3N2)C(F)(F)F

InChI

InChI=1S/C17H13F3N2OS/c18-17(19,20)14-6-2-1-5-12(14)10-24-11-13-9-16(23)22-8-4-3-7-15(22)21-13/h1-9H,10-11H2/p+1