(4-pyridin-1-ium-2-ylpiperazin-1-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone

Systemtic Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone Openeye Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[5-[3-(trifluoromethyl)phenyl]-2-furyl]methanone CAS Name: [4-(2-pyridin-1-iumyl)-1-piperazinyl]-[5-[3-(trifluoromethyl)phenyl]-2-furanyl]methanone IUPAC Name: (4-pyridin-1-ium-2-ylpiperazin-1-yl)-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]methanone Traditional Name: (4-pyridin-1-ium-2-ylpiperazino)-[5-[3-(trifluoromethyl)phenyl]-2-furyl]methanone Formula: C21H19F3N3O2+ MolecularWeight: 402.38967

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C2=CC=CC=[NH+]2)C(=O)C3=CC=C(O3)C4=CC(=CC=C4)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O2/c22-21(23,24)16-5-3-4-15(14-16)17-7-8-18(29-17)20(28)27-12-10-26(11-13-27)19-6-1-2-9-25-19/h1-9,14H,10-13H2/p+1