5-tert-butyl-3-(4-chlorophenyl)-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-3-(4-chlorophenyl)-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-3-(4-chlorophenyl)-7-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[1,5-a]pyrimidine Formula: C25H28ClN6+ MolecularWeight: 447.98302

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H27ClN6/c1-25(2,3)21-16-23(31-14-12-30(13-15-31)22-6-4-5-11-27-22)32-24(29-21)20(17-28-32)18-7-9-19(26)10-8-18/h4-11,16-17H,12-15H2,1-3H3/p+1