2-ethyl-3-(4-fluorophenyl)-5-methyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 2-ethyl-3-(4-fluorophenyl)-5-methyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 2-ethyl-3-(4-fluorophenyl)-5-methyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 2-ethyl-3-(4-fluorophenyl)-5-methyl-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 2-ethyl-3-(4-fluorophenyl)-5-methyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 2-ethyl-3-(4-fluorophenyl)-5-methyl-7-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[1,5-a]pyrimidine Formula: C24H26FN6+ MolecularWeight: 417.501843

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)F)C)N4CCN(CC4)C5=CC=CC=[NH+]5

Isomeric SMILES

CCC1=NN2C(=CC(=NC2=C1C3=CC=C(C=C3)F)C)N4CCN(CC4)C5=CC=CC=[NH+]5

InChI

InChI=1S/C24H25FN6/c1-3-20-23(18-7-9-19(25)10-8-18)24-27-17(2)16-22(31(24)28-20)30-14-12-29(13-15-30)21-6-4-5-11-26-21/h4-11,16H,3,12-15H2,1-2H3/p+1