3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one

Systemtic Name: 3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Openeye Name: 3-[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one CAS Name: 3-[[4-(2-furanyl)-6-(trifluoromethyl)-2-pyrimidinyl]thio]-1-[4-(2-pyridin-1-iumyl)-1-piperazinyl]-1-propanone IUPAC Name: 3-[4-(furan-2-yl)-6-(trifluoromethyl)pyrimidin-2-yl]sulfanyl-1-(4-pyridin-1-ium-2-ylpiperazin-1-yl)propan-1-one Traditional Name: 3-[[4-(2-furyl)-6-(trifluoromethyl)pyrimidin-2-yl]thio]-1-(4-pyridin-1-ium-2-ylpiperazino)propan-1-one Formula: C21H21F3N5O2S+ MolecularWeight: 464.48395

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)CCSC3=NC(=CC(=N3)C(F)(F)F)C4=CC=CO4

InChI

InChI=1S/C21H20F3N5O2S/c22-21(23,24)17-14-15(16-4-3-12-31-16)26-20(27-17)32-13-6-19(30)29-10-8-28(9-11-29)18-5-1-2-7-25-18/h1-5,7,12,14H,6,8-11,13H2/p+1