[1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-3-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]pyrazol-3-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C16H24BrN6O+ MolecularWeight: 396.30536

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=NN(C=C2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C16H23BrN6O/c1-4-20-7-9-21(10-8-20)16(24)14-5-6-22(19-14)11-23-13(3)15(17)12(2)18-23/h5-6H,4,7-11H2,1-3H3/p+1