[5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [5-[(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)methyl]furan-2-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [5-[(4-bromo-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]furan-2-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-[(4-bromo-3,5-dimethyl-pyrazol-1-yl)methyl]-2-furyl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C17H24BrN4O2+ MolecularWeight: 396.30206

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=CC=C(O2)CN3C(=C(C(=N3)C)Br)C

InChI

InChI=1S/C17H23BrN4O2/c1-4-20-7-9-21(10-8-20)17(23)15-6-5-14(24-15)11-22-13(3)16(18)12(2)19-22/h5-6H,4,7-11H2,1-3H3/p+1