(5-bromanylfuran-2-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone

Systemtic Name: (5-bromanylfuran-2-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Openeye Name: (5-bromo-2-furyl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone CAS Name: (5-bromo-2-furanyl)-[4-[(3-fluorophenyl)methyl]-1-piperazin-4-iumyl]methanone IUPAC Name: (5-bromofuran-2-yl)-[4-[(3-fluorophenyl)methyl]piperazin-4-ium-1-yl]methanone Traditional Name: (5-bromo-2-furyl)-[4-(3-fluorobenzyl)piperazin-4-ium-1-yl]methanone Formula: C16H17BrFN2O2+ MolecularWeight: 368.220783

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=O)C3=CC=C(O3)Br

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC(=CC=C2)F)C(=O)C3=CC=C(O3)Br

InChI

InChI=1S/C16H16BrFN2O2/c17-15-5-4-14(22-15)16(21)20-8-6-19(7-9-20)11-12-2-1-3-13(18)10-12/h1-5,10H,6-9,11H2/p+1