(6-bromanylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: (6-bromanylpyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: (6-bromo-2-pyrazolo[1,5-a]pyrimidinyl)-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: (6-bromopyrazolo[1,5-a]pyrimidin-2-yl)-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C12H15BrN5O+ MolecularWeight: 325.1844

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=O)C2=NN3C=C(C=NC3=C2)Br

Isomeric SMILES

C[NH+]1CCN(CC1)C(=O)C2=NN3C=C(C=NC3=C2)Br

InChI

InChI=1S/C12H14BrN5O/c1-16-2-4-17(5-3-16)12(19)10-6-11-14-7-9(13)8-18(11)15-10/h6-8H,2-5H2,1H3/p+1