1-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium

Systemtic Name: 1-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium Openeye Name: 1-[[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium CAS Name: 1-[[1-(3-fluorophenyl)-3-(5-methyl-2-furanyl)-4-pyrazolyl]methyl]-4-(4-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-ylpiperazin-1-ium Traditional Name: 1-[[1-(3-fluorophenyl)-3-(5-methyl-2-furyl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium Formula: C24H26FN5O+2 MolecularWeight: 419.494543

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NN(C=C2C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4)C5=CC(=CC=C5)F

Isomeric SMILES

CC1=CC=C(O1)C2=NN(C=C2C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4)C5=CC(=CC=C5)F

InChI

InChI=1S/C24H24FN5O/c1-18-5-6-23(31-18)24-19(17-30(27-24)22-4-2-3-20(25)15-22)16-28-11-13-29(14-12-28)21-7-9-26-10-8-21/h2-10,15,17H,11-14,16H2,1H3/p+2