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

Systemtic Name: 5-tert-butyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-tert-butyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 5-tert-butyl-7-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-3-phenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 5-tert-butyl-7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-tert-butyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C24H32N5+ MolecularWeight: 390.54438

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C[NH+]1CCN(CC1)C2=CC(=NC3=C(C=NN23)C4=CC=CC=C4)C(C)(C)C

Isomeric SMILES

CC(=C)C[NH+]1CCN(CC1)C2=CC(=NC3=C(C=NN23)C4=CC=CC=C4)C(C)(C)C

InChI

InChI=1S/C24H31N5/c1-18(2)17-27-11-13-28(14-12-27)22-15-21(24(3,4)5)26-23-20(16-25-29(22)23)19-9-7-6-8-10-19/h6-10,15-16H,1,11-14,17H2,2-5H3/p+1