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

Systemtic Name: 5-methyl-3-(4-methylphenyl)-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Openeye Name: 5-methyl-3-(p-tolyl)-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-methyl-3-(4-methylphenyl)-7-[4-(2-pyridin-1-iumyl)-1-piperazinyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-methyl-3-(4-methylphenyl)-7-(4-pyridin-1-ium-2-ylpiperazin-1-yl)pyrazolo[1,5-a]pyrimidine Traditional Name: 5-methyl-3-(p-tolyl)-7-(4-pyridin-1-ium-2-ylpiperazino)pyrazolo[1,5-a]pyrimidine Formula: C23H25N6+ MolecularWeight: 385.4848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H24N6/c1-17-6-8-19(9-7-17)20-16-25-29-22(15-18(2)26-23(20)29)28-13-11-27(12-14-28)21-5-3-4-10-24-21/h3-10,15-16H,11-14H2,1-2H3/p+1