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

Systemtic Name: 7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3,5-diphenyl-pyrazolo[1,5-a]pyrimidine Openeye Name: 7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3,5-diphenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-3,5-diphenylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3,5-diphenylpyrazolo[1,5-a]pyrimidine Traditional Name: 7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3,5-diphenyl-pyrazolo[1,5-a]pyrimidine Formula: C26H28N5+ MolecularWeight: 410.53402

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=C)C[NH+]1CCN(CC1)C2=CC(=NC3=C(C=NN23)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CC(=C)C[NH+]1CCN(CC1)C2=CC(=NC3=C(C=NN23)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C26H27N5/c1-20(2)19-29-13-15-30(16-14-29)25-17-24(22-11-7-4-8-12-22)28-26-23(18-27-31(25)26)21-9-5-3-6-10-21/h3-12,17-18H,1,13-16,19H2,2H3/p+1