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

Systemtic Name: [4-[(5-bromanylthiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone Openeye Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone CAS Name: [4-[(5-bromo-2-thiophenyl)methyl]-1-piperazin-4-iumyl]-(2-fluorophenyl)methanone IUPAC Name: [4-[(5-bromothiophen-2-yl)methyl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone Traditional Name: [4-[(5-bromo-2-thienyl)methyl]piperazin-4-ium-1-yl]-(2-fluorophenyl)methanone Formula: C16H17BrFN2OS+ MolecularWeight: 384.286383

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC=CC=C3F

Isomeric SMILES

C1CN(CC[NH+]1CC2=CC=C(S2)Br)C(=O)C3=CC=CC=C3F

InChI

InChI=1S/C16H16BrFN2OS/c17-15-6-5-12(22-15)11-19-7-9-20(10-8-19)16(21)13-3-1-2-4-14(13)18/h1-6H,7-11H2/p+1