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

Systemtic Name: 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Openeye Name: 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine CAS Name: 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]pyrazolo[1,5-a]pyrimidine IUPAC Name: 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Traditional Name: 3-(2-methoxyphenyl)-5-methyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]pyrazolo[1,5-a]pyrimidine Formula: C22H28N5O+ MolecularWeight: 378.49062

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC(=C)C)C4=CC=CC=C4OC

Isomeric SMILES

CC1=NC2=C(C=NN2C(=C1)N3CC[NH+](CC3)CC(=C)C)C4=CC=CC=C4OC

InChI

InChI=1S/C22H27N5O/c1-16(2)15-25-9-11-26(12-10-25)21-13-17(3)24-22-19(14-23-27(21)22)18-7-5-6-8-20(18)28-4/h5-8,13-14H,1,9-12,15H2,2-4H3/p+1