8-methyl-2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one

Systemtic Name: 8-methyl-2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 8-methyl-2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 8-methyl-2-[[[1-propyl-6-(trifluoromethyl)-2-benzimidazolyl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 8-methyl-2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 8-methyl-2-[[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C21H20F3N4OS+ MolecularWeight: 433.46991

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC3=CC(=O)[N+]4=C(N3)C=C(C=C4)C

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC3=CC(=O)[N+]4=C(N3)C=C(C=C4)C

InChI

InChI=1S/C21H19F3N4OS/c1-3-7-27-17-10-14(21(22,23)24)4-5-16(17)26-20(27)30-12-15-11-19(29)28-8-6-13(2)9-18(28)25-15/h4-6,8-11H,3,7,12H2,1-2H3/p+1