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

Systemtic Name: 2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Openeye Name: 2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one CAS Name: 2-[[[1-propyl-6-(trifluoromethyl)-2-benzimidazolyl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one IUPAC Name: 2-[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]sulfanylmethyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Traditional Name: 2-[[[1-propyl-6-(trifluoromethyl)benzimidazol-2-yl]thio]methyl]-1H-pyrido[1,2-a]pyrimidin-5-ium-4-one Formula: C20H18F3N4OS+ MolecularWeight: 419.44333

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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=CC=CC=C4N3

Isomeric SMILES

CCCN1C2=C(C=CC(=C2)C(F)(F)F)N=C1SCC3=CC(=O)[N+]4=CC=CC=C4N3

InChI

InChI=1S/C20H17F3N4OS/c1-2-8-26-16-10-13(20(21,22)23)6-7-15(16)25-19(26)29-12-14-11-18(28)27-9-4-3-5-17(27)24-14/h3-7,9-11H,2,8,12H2,1H3/p+1