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

Systemtic Name: 2-[4-[5-bromanyl-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Openeye Name: 2-[4-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol CAS Name: 2-[4-[5-bromo-2-(3,5-dimethyl-1-pyrazolyl)-6-methyl-4-pyrimidinyl]-1-piperazin-1-iumyl]ethanol IUPAC Name: 2-[4-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-methylpyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Traditional Name: 2-[4-[5-bromo-2-(3,5-dimethylpyrazol-1-yl)-6-methyl-pyrimidin-4-yl]piperazin-1-ium-1-yl]ethanol Formula: C16H24BrN6O+ MolecularWeight: 396.30536

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=NC(=C(C(=N2)N3CC[NH+](CC3)CCO)Br)C)C

Isomeric SMILES

CC1=CC(=NN1C2=NC(=C(C(=N2)N3CC[NH+](CC3)CCO)Br)C)C

InChI

InChI=1S/C16H23BrN6O/c1-11-10-12(2)23(20-11)16-18-13(3)14(17)15(19-16)22-6-4-21(5-7-22)8-9-24/h10,24H,4-9H2,1-3H3/p+1