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

Systemtic Name: 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium Openeye Name: 1-[[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium CAS Name: 1-[[3-(2,5-dimethyl-3-thiophenyl)-1-(2-fluorophenyl)-4-pyrazolyl]methyl]-4-(4-pyridin-1-iumyl)piperazin-1-ium IUPAC Name: 1-[[3-(2,5-dimethylthiophen-3-yl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-ylpiperazin-1-ium Traditional Name: 1-[[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-4-pyridin-1-ium-4-yl-piperazin-1-ium Formula: C25H28FN5S+2 MolecularWeight: 449.586723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NN(C=C2C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4)C5=CC=CC=C5F

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NN(C=C2C[NH+]3CCN(CC3)C4=CC=[NH+]C=C4)C5=CC=CC=C5F

InChI

InChI=1S/C25H26FN5S/c1-18-15-22(19(2)32-18)25-20(17-31(28-25)24-6-4-3-5-23(24)26)16-29-11-13-30(14-12-29)21-7-9-27-10-8-21/h3-10,15,17H,11-14,16H2,1-2H3/p+2