2-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenyl-pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol

Systemtic Name: 2-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenyl-pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenyl-pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[6-(3,5-dimethyl-1-pyrazolyl)-2-phenyl-4-pyrimidinyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenylpyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[6-(3,5-dimethylpyrazol-1-yl)-2-phenyl-pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Formula: C21H27N6O+ MolecularWeight: 379.47868

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC(=NC(=N2)C3=CC=CC=C3)N4CC[NH+](CC4)CCO)C

Isomeric SMILES

CC1=CC(=NN1C2=CC(=NC(=N2)C3=CC=CC=C3)N4CC[NH+](CC4)CCO)C

InChI

InChI=1S/C21H26N6O/c1-16-14-17(2)27(24-16)20-15-19(26-10-8-25(9-11-26)12-13-28)22-21(23-20)18-6-4-3-5-7-18/h3-7,14-15,28H,8-13H2,1-2H3/p+1