5-methyl-3-(4-methylphenyl)-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5-methyl-3-(4-methylphenyl)-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Openeye Name: 5-methyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-(p-tolyl)pyrazolo[1,5-a]pyrimidine CAS Name: 5-methyl-3-(4-methylphenyl)-7-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 5-methyl-3-(4-methylphenyl)-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Traditional Name: 5-methyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-(p-tolyl)pyrazolo[1,5-a]pyrimidine Formula: C22H28N5+ MolecularWeight: 362.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2)N4CC[NH+](CC4)CC(=C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3N=C(C=C(N3N=C2)N4CC[NH+](CC4)CC(=C)C)C

InChI

InChI=1S/C22H27N5/c1-16(2)15-25-9-11-26(12-10-25)21-13-18(4)24-22-20(14-23-27(21)22)19-7-5-17(3)6-8-19/h5-8,13-14H,1,9-12,15H2,2-4H3/p+1