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

Systemtic Name: 2-[4-(2-methyl-3,5-diphenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(2-methyl-3,5-diphenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(2-methyl-3,5-diphenyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(2-methyl-3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(2-methyl-3,5-diphenyl-pyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol Formula: C25H28N5O+ MolecularWeight: 414.52272

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C4=CC=CC=C4)N5CC[NH+](CC5)CCO

Isomeric SMILES

CC1=NN2C(=CC(=NC2=C1C3=CC=CC=C3)C4=CC=CC=C4)N5CC[NH+](CC5)CCO

InChI

InChI=1S/C25H27N5O/c1-19-24(21-10-6-3-7-11-21)25-26-22(20-8-4-2-5-9-20)18-23(30(25)27-19)29-14-12-28(13-15-29)16-17-31/h2-11,18,31H,12-17H2,1H3/p+1