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

Systemtic Name: 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-(3,5-diphenyl-7-pyrazolo[1,5-a]pyrimidinyl)-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-(3,5-diphenylpyrazolo[1,5-a]pyrimidin-7-yl)piperazin-1-ium-1-yl]ethanol Formula: C24H26N5O+ MolecularWeight: 400.49614

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCO)C2=CC(=NC3=C(C=NN23)C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CN(CC[NH+]1CCO)C2=CC(=NC3=C(C=NN23)C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C24H25N5O/c30-16-15-27-11-13-28(14-12-27)23-17-22(20-9-5-2-6-10-20)26-24-21(18-25-29(23)24)19-7-3-1-4-8-19/h1-10,17-18,30H,11-16H2/p+1