5,6-dimethyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine

Systemtic Name: 5,6-dimethyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5,6-dimethyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5,6-dimethyl-7-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5,6-dimethyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5,6-dimethyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C22H28N5+ MolecularWeight: 362.49122

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N2C(=C(C=N2)C3=CC=CC=C3)N=C1C)N4CC[NH+](CC4)CC(=C)C

Isomeric SMILES

CC1=C(N2C(=C(C=N2)C3=CC=CC=C3)N=C1C)N4CC[NH+](CC4)CC(=C)C

InChI

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