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

Systemtic Name: 2-ethyl-5-methyl-3-phenyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 2-ethyl-5-methyl-3-phenyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 2-ethyl-5-methyl-3-phenyl-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 2-ethyl-5-methyl-3-phenyl-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 2-ethyl-5-methyl-3-phenyl-7-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[1,5-a]pyrimidine Formula: C24H27N6+ MolecularWeight: 399.51138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H26N6/c1-3-20-23(19-9-5-4-6-10-19)24-26-18(2)17-22(30(24)27-20)29-15-13-28(14-16-29)21-11-7-8-12-25-21/h4-12,17H,3,13-16H2,1-2H3/p+1