2-(4-bromanylpyrazol-1-yl)-1-piperazin-4-ium-1-yl-ethanone

Systemtic Name: 2-(4-bromanylpyrazol-1-yl)-1-piperazin-4-ium-1-yl-ethanone Openeye Name: 2-(4-bromopyrazol-1-yl)-1-piperazin-4-ium-1-yl-ethanone CAS Name: 2-(4-bromo-1-pyrazolyl)-1-(1-piperazin-4-iumyl)ethanone IUPAC Name: 2-(4-bromopyrazol-1-yl)-1-piperazin-4-ium-1-ylethanone Traditional Name: 2-(4-bromopyrazol-1-yl)-1-piperazin-4-ium-1-yl-ethanone Formula: C9H14BrN4O+ MolecularWeight: 274.13766

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH2+]1)C(=O)CN2C=C(C=N2)Br

Isomeric SMILES

C1CN(CC[NH2+]1)C(=O)CN2C=C(C=N2)Br

InChI

InChI=1S/C9H13BrN4O/c10-8-5-12-14(6-8)7-9(15)13-3-1-11-2-4-13/h5-6,11H,1-4,7H2/p+1