(E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: (E)-3-[5-(2-fluorophenyl)-2-furyl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: (E)-3-[5-(2-fluorophenyl)-2-furanyl]-1-[4-(4-pyridin-1-iumyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: (E)-3-[5-(2-fluorophenyl)furan-2-yl]-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: (E)-3-[5-(2-fluorophenyl)-2-furyl]-1-(4-pyridin-1-ium-4-ylpiperazino)prop-2-en-1-one Formula: C22H21FN3O2+ MolecularWeight: 378.419443

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)C=CC3=CC=C(O3)C4=CC=CC=C4F

Isomeric SMILES

C1CN(CCN1C2=CC=[NH+]C=C2)C(=O)/C=C/C3=CC=C(O3)C4=CC=CC=C4F

InChI

InChI=1S/C22H20FN3O2/c23-20-4-2-1-3-19(20)21-7-5-18(28-21)6-8-22(27)26-15-13-25(14-16-26)17-9-11-24-12-10-17/h1-12H,13-16H2/p+1/b8-6+