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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC2=C(C=NN2C(=C1)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

Isomeric SMILES

CC(C)C1=NC2=C(C=NN2C(=C1)N3CCN(CC3)C4=CC=CC=[NH+]4)C5=CC=CC=C5

InChI

InChI=1S/C24H26N6/c1-18(2)21-16-23(29-14-12-28(13-15-29)22-10-6-7-11-25-22)30-24(27-21)20(17-26-30)19-8-4-3-5-9-19/h3-11,16-18H,12-15H2,1-2H3/p+1