1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone Openeye Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanyl-ethanone CAS Name: 1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-2-[[2-(trifluoromethyl)-4-quinazolinyl]thio]ethanone IUPAC Name: 1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)-2-[2-(trifluoromethyl)quinazolin-4-yl]sulfanylethanone Traditional Name: 1-(4-pyridin-1-ium-2-ylpiperazino)-2-[[2-(trifluoromethyl)quinazolin-4-yl]thio]ethanone Formula: C20H19F3N5OS+ MolecularWeight: 434.45797

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CSC3=NC(=NC4=CC=CC=C43)C(F)(F)F

InChI

InChI=1S/C20H18F3N5OS/c21-20(22,23)19-25-15-6-2-1-5-14(15)18(26-19)30-13-17(29)28-11-9-27(10-12-28)16-7-3-4-8-24-16/h1-8H,9-13H2/p+1