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

Systemtic Name: 2,5-dimethyl-3-(4-methylphenyl)-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 2,5-dimethyl-3-(p-tolyl)-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 2,5-dimethyl-3-(4-methylphenyl)-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 2,5-dimethyl-3-(4-methylphenyl)-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 2,5-dimethyl-3-(p-tolyl)-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:

CC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2C)N4CCN(CC4)C5=CC=CC=[NH+]5)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2C)N4CCN(CC4)C5=CC=CC=[NH+]5)C

InChI

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