2-[4-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(5-tert-butyl-2-methyl-3-phenyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(5-tert-butyl-2-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(5-tert-butyl-2-methyl-3-phenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol Formula: C23H32N5O+ MolecularWeight: 394.53308

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)N4CC[NH+](CC4)CCO

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C(C)(C)C)N4CC[NH+](CC4)CCO

InChI

InChI=1S/C23H31N5O/c1-17-21(18-8-6-5-7-9-18)22-24-19(23(2,3)4)16-20(28(22)25-17)27-12-10-26(11-13-27)14-15-29/h5-9,16,29H,10-15H2,1-4H3/p+1