(4-bromanyl-2-methyl-pyrazol-3-yl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (4-bromanyl-2-methyl-pyrazol-3-yl)-piperazin-4-ium-1-yl-methanone Openeye Name: (4-bromo-2-methyl-pyrazol-3-yl)-piperazin-4-ium-1-yl-methanone CAS Name: (4-bromo-2-methyl-3-pyrazolyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (4-bromo-2-methylpyrazol-3-yl)-piperazin-4-ium-1-ylmethanone Traditional Name: (4-bromo-2-methyl-pyrazol-3-yl)-piperazin-4-ium-1-yl-methanone Formula: C9H14BrN4O+ MolecularWeight: 274.13766

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C=N1)Br)C(=O)N2CC[NH2+]CC2

Isomeric SMILES

CN1C(=C(C=N1)Br)C(=O)N2CC[NH2+]CC2

InChI

InChI=1S/C9H13BrN4O/c1-13-8(7(10)6-12-13)9(15)14-4-2-11-3-5-14/h6,11H,2-5H2,1H3/p+1