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

Systemtic Name: 7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-5-propan-2-yl-pyrazolo[1,5-a]pyrimidine Openeye Name: 5-isopropyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine CAS Name: 7-[4-(2-methylprop-2-enyl)-1-piperazin-4-iumyl]-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine IUPAC Name: 7-[4-(2-methylprop-2-enyl)piperazin-4-ium-1-yl]-3-phenyl-5-propan-2-ylpyrazolo[1,5-a]pyrimidine Traditional Name: 5-isopropyl-7-[4-(2-methylallyl)piperazin-4-ium-1-yl]-3-phenyl-pyrazolo[1,5-a]pyrimidine Formula: C23H30N5+ MolecularWeight: 376.5178

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H29N5/c1-17(2)16-26-10-12-27(13-11-26)22-14-21(18(3)4)25-23-20(15-24-28(22)23)19-8-6-5-7-9-19/h5-9,14-15,18H,1,10-13,16H2,2-4H3/p+1